3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine
3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine structure
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Common Name | 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine | ||
|---|---|---|---|---|
| CAS Number | 80980-09-2 | Molecular Weight | 222.245 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 472.7±47.0 °C at 760 mmHg | |
| Molecular Formula | C13H10N4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 226.2±22.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 472.7±47.0 °C at 760 mmHg |
| Molecular Formula | C13H10N4 |
| Molecular Weight | 222.245 |
| Flash Point | 226.2±22.2 °C |
| Exact Mass | 222.090546 |
| PSA | 54.46000 |
| LogP | 2.83 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.640 |
| InChIKey | LYJGTNPLWZSTJL-UHFFFAOYSA-N |
| SMILES | c1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
3-(3-Phenyl-1H-... CAS#:80980-09-2 |
| Literature: Panda, Siva S.; Jain, Subhash C. Medicinal Chemistry Research, 2014 , vol. 23, # 2 p. 848 - 861 |
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~97%
3-(3-Phenyl-1H-... CAS#:80980-09-2 |
| Literature: Kauffmann, Thomas; Ban, Laszlo; Kuhlmann, Dieter Chemische Berichte, 1981 , vol. 114, # 11 p. 3684 - 3690 |
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~%
3-(3-Phenyl-1H-... CAS#:80980-09-2 |
| Literature: Chemische Berichte, , vol. 114, # 11 p. 3684 - 3690 |
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~%
3-(3-Phenyl-1H-... CAS#:80980-09-2 |
| Literature: Chemische Berichte, , vol. 114, # 11 p. 3684 - 3690 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
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Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
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Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Primary cell-based high-throughput screening for identification of compounds that all...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_AlloAgonist_Primary
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Name: Primary cell-based high-throughput screening for identification of compounds that ant...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_Antagonist_Primary
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine |
| 3-Phenyl-5-(3-pyridyl)-4H-1,2,4-triazol |
| 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine |
| 3-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: InChIKey of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is LYJGTNPLWZSTJL-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: Polar surface area (PSA) of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is 54.46000. |
| Q: What is the CAS number of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: CAS number of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is 80980-09-2. |
| Q: What are the upstream materials of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: Related upstream materials(CAS) of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine: 553-53-7;100-52-7;100-54-9;28819-30-9. |
| Q: What is the English name of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: The English name of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine. |
| Q: What is the molecular formula of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: Molecular formula of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is C13H10N4. |
| Q: What is the LogP of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: LogP of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is 2.83. |
| Q: What English synonyms does 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine have? |
| A: English synonyms of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine: 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine, 3-Phenyl-5-(3-pyridyl)-4H-1,2,4-triazol, 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine, 3-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridine. |
| Q: What is the SMILES notation of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: SMILES notation of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is c1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1. |
| Q: What is the boiling point of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine? |
| A: Boiling point of 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine is 472.7±47.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |