[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | D718-0591 |
| Compound Name: | [(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 221.24 |
| Molecular Formula: | C8 H7 N5 O S |
| Smiles: | CC1=CC(n2c(N1)nc(n2)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2656 |
| logD: | -0.5503 |
| logSw: | -2.0597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.219 |
| InChI Key: | SOHFWPCKIPFKIL-UHFFFAOYSA-N |