2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0126 |
| Compound Name: | 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | CC1=CC(n2c(N1)nc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0016 |
| logD: | 1.3925 |
| logSw: | -2.4062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.456 |
| InChI Key: | UDFQYYGCNPFPBZ-UHFFFAOYSA-N |