3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6858 |
| Compound Name: | 3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C14 H19 N5 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3591 |
| logD: | 1.3437 |
| logSw: | -2.1295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.817 |
| InChI Key: | DGRJOOZGGWFSKI-UHFFFAOYSA-N |