4-(3-methylphenyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-methylphenyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(3-methylphenyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0480 |
| Compound Name: | 4-(3-methylphenyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 285.37 |
| Molecular Formula: | C14 H15 N5 S |
| Smiles: | Cc1cccc(c1)n1c(Cn2ccc(C)n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.4835 |
| logD: | 0.2242 |
| logSw: | -0.8822 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.901 |
| InChI Key: | AGAQKDFFPIULKK-UHFFFAOYSA-N |