4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(4-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(4-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(4-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-4279 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(4-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 289.36 |
| Molecular Formula: | C12 H15 N7 S |
| Smiles: | Cc1cnn(Cc2nnc(n2c2cn(C)nc2C)S)c1 |
| Stereo: | ACHIRAL |
| logP: | -0.3775 |
| logD: | -1.9339 |
| logSw: | 0.1383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.072 |
| InChI Key: | CATNPUGMQBUUFA-UHFFFAOYSA-N |