5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6654 |
| Compound Name: | 5-methyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 307.37 |
| Molecular Formula: | C13 H17 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5336 |
| logD: | 0.5175 |
| logSw: | -2.0139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.09 |
| InChI Key: | XKABTOHAKMHMPJ-UHFFFAOYSA-N |