5-(pyridin-3-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(pyridin-3-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
5-(pyridin-3-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-0928 |
| Compound Name: | 5-(pyridin-3-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 335.39 |
| Molecular Formula: | C16 H13 N7 S |
| Smiles: | C(c1ccc(cc1)n1c(c2cccnc2)nnc1S)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 0.6807 |
| logD: | -0.7981 |
| logSw: | -0.583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.952 |
| InChI Key: | DNMZXJDPQLKMMC-UHFFFAOYSA-N |