4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 4896-4195 |
| Compound Name: | 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C12 H12 N6 S |
| Smiles: | Cc1cc(c2ccccc2)n(c2nnc(n2N)S)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2359 |
| logD: | 0.5817 |
| logSw: | -0.9033 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.326 |
| InChI Key: | JGCXBHRWEUVLGF-UHFFFAOYSA-N |