4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methylpyrimidin-2-amine
Chemical Structure Depiction of
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methylpyrimidin-2-amine
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methylpyrimidin-2-amine
Compound characteristics
| Compound ID: | D396-0009 |
| Compound Name: | 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-methylpyrimidin-2-amine |
| Molecular Weight: | 298.37 |
| Molecular Formula: | C14 H14 N6 S |
| Smiles: | Cc1cc(nc(N)n1)n1cnc(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4475 |
| logD: | 2.4427 |
| logSw: | -2.479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.936 |
| InChI Key: | ONENPJIRCGWKKW-UHFFFAOYSA-N |