{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G802-0604 |
| Compound Name: | {[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C15 H13 N5 O S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.472 |
| logD: | 1.472 |
| logSw: | -2.2314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.466 |
| InChI Key: | SRRMJYVEEKWCDK-UHFFFAOYSA-N |