3-[(propan-2-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-[(propan-2-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-[(propan-2-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6852 |
| Compound Name: | 3-[(propan-2-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 252.34 |
| Molecular Formula: | C11 H16 N4 O S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2375 |
| logD: | 2.2101 |
| logSw: | -2.6763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.33 |
| InChI Key: | XIZMWTAJQXQUDK-UHFFFAOYSA-N |