4,5-di(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4,5-di(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4,5-di(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-6058 |
| Compound Name: | 4,5-di(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 255.3 |
| Molecular Formula: | C12 H9 N5 S |
| Smiles: | c1cc(cnc1)c1nnc(n1c1cccnc1)S |
| Stereo: | ACHIRAL |
| logP: | 0.7324 |
| logD: | -0.463 |
| logSw: | -0.316 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.493 |
| InChI Key: | TXCJAMNKANWYDO-UHFFFAOYSA-N |