3-[5-methyl-2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
Chemical Structure Depiction of
3-[5-methyl-2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
3-[5-methyl-2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
Compound characteristics
| Compound ID: | Y021-0734 |
| Compound Name: | 3-[5-methyl-2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid |
| Molecular Weight: | 268.29 |
| Molecular Formula: | C10 H12 N4 O3 S |
| Smiles: | CC1=C(CCC(O)=O)C(n2c(N1)nc(n2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7148 |
| logD: | -1.7814 |
| logSw: | -1.792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.629 |
| InChI Key: | SRXXIVHGCAQCEX-UHFFFAOYSA-N |