6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~4~-dimethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~4~-dimethyl-1,3,5-triazine-2,4-diamine
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~4~-dimethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D385-0075 |
| Compound Name: | 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~4~-dimethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 328.4 |
| Molecular Formula: | C14 H16 N8 S |
| Smiles: | CNc1nc(NC)nc(n1)n1cnc(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7219 |
| logD: | 2.7176 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.003 |
| InChI Key: | WZRZHWDJEDKBTQ-UHFFFAOYSA-N |