N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0216 |
| Compound Name: | N-ethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 306.39 |
| Molecular Formula: | C12 H18 N8 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SC)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.268 |
| logD: | 3.2677 |
| logSw: | -3.321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.705 |
| InChI Key: | LEHXQZDRJPYTPU-UHFFFAOYSA-N |