5-methyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-methyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6656 |
| Compound Name: | 5-methyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 309.34 |
| Molecular Formula: | C12 H15 N5 O3 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6251 |
| logD: | -0.6412 |
| logSw: | -1.8572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.998 |
| InChI Key: | YJIMLUAOYMMLNX-UHFFFAOYSA-N |