2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one
2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one structure
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Common Name | 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one | ||
|---|---|---|---|---|
| CAS Number | 944-91-2 | Molecular Weight | 189.21400 | |
| Density | 1.19g/cm3 | Boiling Point | 263.7ºC at 760 mmHg | |
| Molecular Formula | C10H11N3O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 113.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one |
|---|---|
| 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 | 1.19g/cm3 |
|---|---|
| Boiling Point | 263.7ºC at 760 mmHg |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.21400 |
| Flash Point | 113.3ºC |
| Exact Mass | 189.09000 |
| PSA | 39.82000 |
| LogP | 0.78580 |
| Index of Refraction | 1.61 |
| InChIKey | XNHJDSQIZMQBFF-UHFFFAOYSA-N |
| SMILES | Cn1nc(-c2ccccc2)n(C)c1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~65%
2,4-dimethyl-5-... CAS#:944-91-2 |
| Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Tested for inhibition of pentylenetetrazole induced seizures in mice; Value is 1/8 of...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731212
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Name: Acute cytotoxicity was evaluated as LD50 in mice (ip)
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL726026
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Name: Antidepressant activity was evaluated by measuring its ability to antagonize reserpin...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL723988
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|
Name: Antidepressant activity was evaluated by measuring its ability to antagonize RO 4-128...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL719688
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|
Name: Tested for acute toxicity in mice after intraperitoneal administration; Value ranges ...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL738597
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,4-Dihydro-2,4-dimethyl-5-phenyl-3H-1,2,4-triazol-3-one |
| 1,4-Dimethyl-3-phenyl-1,2,4-triazol-5-on |
| 1,4-Dimethyl-3-phenyl-1,2,4-triazolin-5-on |
| 3H-1,2,4-Triazol-3-one,2,4-dihydro-2,4-dimethyl-5-phenyl |
| 2,4-dimethyl-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: SMILES notation of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is Cn1nc(-c2ccccc2)n(C)c1=O. |
| Q: What English synonyms does 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one have? |
| A: English synonyms of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one: 2,4-Dihydro-2,4-dimethyl-5-phenyl-3H-1,2,4-triazol-3-one, 1,4-Dimethyl-3-phenyl-1,2,4-triazol-5-on, 1,4-Dimethyl-3-phenyl-1,2,4-triazolin-5-on, 3H-1,2,4-Triazol-3-one,2,4-dihydro-2,4-dimethyl-5-phenyl, 2,4-dimethyl-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one. |
| Q: What is the CAS number of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: CAS number of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is 944-91-2. |
| Q: What is the molecular formula of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: Molecular formula of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is C10H11N3O. |
| Q: What is the polar surface area (PSA) of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: Polar surface area (PSA) of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is 39.82000. |
| Q: What is the English name of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: The English name of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one. |
| Q: What is the boiling point of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: Boiling point of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is 263.7ºC at 760 mmHg. |
| Q: What is the molecular weight of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: Molecular weight of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is 189.21400. |
| Q: What is the InChIKey of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one? |
| A: InChIKey of 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one is XNHJDSQIZMQBFF-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 944-91-2? |
| A: Chinese name of 944-91-2 is 944-91-2. |