5-methyl-3-{[2-oxo-2-(pyrrolidin-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-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6653 |
| Compound Name: | 5-methyl-3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C12 H15 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3146 |
| logD: | 0.2985 |
| logSw: | -2.0888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.456 |
| InChI Key: | OMEQARMBPSYEIN-UHFFFAOYSA-N |