3-methyl-7-[(prop-2-yn-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-[(prop-2-yn-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-[(prop-2-yn-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3734 |
| Compound Name: | 3-methyl-7-[(prop-2-yn-1-yl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 238.29 |
| Molecular Formula: | C8 H6 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC#C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9245 |
| logD: | 1.88 |
| logSw: | -1.851 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.961 |
| InChI Key: | PIJCATHLZHQOMT-UHFFFAOYSA-N |