4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(3,5-dimethyl-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-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-4283 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 303.39 |
| Molecular Formula: | C13 H17 N7 S |
| Smiles: | Cc1cc(C)n(Cc2nnc(n2c2cn(C)nc2C)S)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.598 |
| logD: | -2.1544 |
| logSw: | -0.4387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.302 |
| InChI Key: | FUCNTJVLVRPYRJ-UHFFFAOYSA-N |