3-[(3-methylbutyl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-[(3-methylbutyl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-[(3-methylbutyl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6855 |
| Compound Name: | 3-[(3-methylbutyl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 280.39 |
| Molecular Formula: | C13 H20 N4 O S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9061 |
| logD: | 2.8786 |
| logSw: | -3.3205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.33 |
| InChI Key: | FWAMBOWNHDMYOO-UHFFFAOYSA-N |