3-(butylsulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-(butylsulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-(butylsulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6650 |
| Compound Name: | 3-(butylsulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 238.31 |
| Molecular Formula: | C10 H14 N4 O S |
| Smiles: | CCCCSc1nnc2NC(C=C(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8066 |
| logD: | 1.7778 |
| logSw: | -2.4356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.969 |
| InChI Key: | GJSRVWCAOSYFCG-UHFFFAOYSA-N |