5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-2036 |
| Compound Name: | 5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 196.23 |
| Molecular Formula: | C7 H8 N4 O S |
| Smiles: | CC1=CC(n2c(N1)nc(n2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7952 |
| logD: | -0.0207 |
| logSw: | -2.0936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.727 |
| InChI Key: | DITIBSDLGMCMTP-UHFFFAOYSA-N |