6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~2~,N~4~-trimethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~2~,N~4~-trimethyl-1,3,5-triazine-2,4-diamine
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~2~,N~4~-trimethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D385-0076 |
| Compound Name: | 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~2~,N~2~,N~4~-trimethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C15 H18 N8 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.2396 |
| logD: | 3.2201 |
| logSw: | -3.3702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.944 |
| InChI Key: | XIGBUJYBECDDNT-UHFFFAOYSA-N |