N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0314 |
| Compound Name: | N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 308.41 |
| Molecular Formula: | C12 H20 N8 S |
| Smiles: | CCC(C)Nc1nc(nc(n1)n1cnc(n1)SC)N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1867 |
| logD: | 3.1712 |
| logSw: | -3.4527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.507 |
| InChI Key: | KLKJEIASBPYYND-QMMMGPOBSA-N |