CHEMBRDG-BB 4009740
CHEMBRDG-BB 4009740 structure
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Common Name | CHEMBRDG-BB 4009740 | ||
|---|---|---|---|---|
| CAS Number | 85599-32-2 | Molecular Weight | 178.19100 | |
| Density | 1.4g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C8H10N4O | Melting Point | N/A | |
| MSDS | USA | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4g/cm3 |
|---|---|
| Molecular Formula | C8H10N4O |
| Molecular Weight | 178.19100 |
| Exact Mass | 178.08500 |
| PSA | 63.31000 |
| LogP | 0.04920 |
| Index of Refraction | 1.688 |
| InChIKey | IQKLNRWUTAAYQD-UHFFFAOYSA-N |
| SMILES | OCCCc1cnc2ncnn2c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | NONH for all modes of transport |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~63%
CHEMBRDG-BB 4009740 CAS#:85599-32-2 |
| Literature: Bharate, Sandip B.; Mahajan, Tushar R.; Gole, Yogesh R.; Nambiar, Mahesh; Matan; Kulkarni-Almeida, Asha; Balachandran, Sarala; Junjappa; Balakrishnan, Arun; Vishwakarma, Ram A. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 15 p. 7167 - 7176 |
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~46%
CHEMBRDG-BB 4009740 CAS#:85599-32-2 |
| Literature: Kuenstlinger, M.; Breitmaier, E. Synthesis, 1983 , # 1 p. 44 - 47 |
![3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate structure](https://image.chemsrc.com/caspic/200/1061704-92-4.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| 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: Cytotoxicity against human THP1 cells at 10 uM
Source: ChEMBL
Target: THP-1
External Id: CHEMBL967089
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Name: Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced T...
Source: ChEMBL
Target: THP-1
External Id: CHEMBL967086
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Name: Antiinflammatory activity in human THP1 cells assessed as inhibition of IL6 at 10 uM ...
Source: ChEMBL
Target: THP-1
External Id: CHEMBL967088
|
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: Molecular formula of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is C8H10N4O. |
| Q: What is the English name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: The English name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol. |
| Q: What is the polar surface area (PSA) of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: Polar surface area (PSA) of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is 63.31000. |
| Q: What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is IQKLNRWUTAAYQD-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: Molecular weight of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is 178.19100. |
| Q: What is the LogP of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: LogP of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is 0.04920. |
| Q: What is the CAS number of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: CAS number of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is 85599-32-2. |
| Q: What are the upstream materials of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: Related upstream materials(CAS) of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol: 1061704-92-4;61-82-5;69549-51-5. |
| Q: What is the SMILES notation of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol? |
| A: SMILES notation of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is OCCCc1cnc2ncnn2c1. |
| Q: What is the Chinese name of 85599-32-2? |
| A: Chinese name of 85599-32-2 is 85599-32-2. |
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. |