1-{7-methyl-2-[(prop-2-yn-1-yl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-methyl-2-[(prop-2-yn-1-yl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
1-{7-methyl-2-[(prop-2-yn-1-yl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Compound characteristics
| Compound ID: | Y020-7890 |
| Compound Name: | 1-{7-methyl-2-[(prop-2-yn-1-yl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one |
| Molecular Weight: | 246.29 |
| Molecular Formula: | C11 H10 N4 O S |
| Smiles: | CC(c1cnc2nc(nn2c1C)SCC#C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.957 |
| logD: | 0.957 |
| logSw: | -1.9269 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.869 |
| InChI Key: | QVRBKESQQFESET-UHFFFAOYSA-N |