3-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Chemical Structure Depiction of
3-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
3-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Compound characteristics
| Compound ID: | Y042-3057 |
| Compound Name: | 3-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid |
| Molecular Weight: | 222.2 |
| Molecular Formula: | C9 H10 N4 O3 |
| Smiles: | CC1=C(CCC(O)=O)C(n2c(N1)ncn2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3407 |
| logD: | -2.837 |
| logSw: | -1.3296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.848 |
| InChI Key: | MMSLJBLQCQNPAU-UHFFFAOYSA-N |