5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-4277 |
| Compound Name: | 5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 323.8 |
| Molecular Formula: | C12 H14 Cl N7 S |
| Smiles: | CCn1cc(c(c2nnc(n2c2cn(C)nc2C)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.6735 |
| logD: | -0.4973 |
| logSw: | -1.7982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.367 |
| InChI Key: | QMISJZYWJCZPEV-UHFFFAOYSA-N |