3-[4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoic acid
Chemical Structure Depiction of
3-[4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoic acid
3-[4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoic acid
Compound characteristics
| Compound ID: | 8018-6175 |
| Compound Name: | 3-[4-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoic acid |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C17 H16 N6 O2 |
| Smiles: | Cc1cc(C)n(c2c3nnc(CCC(O)=O)n3c3ccccc3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.137 |
| logD: | -1.6897 |
| logSw: | -1.8237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.085 |
| InChI Key: | NGDYYIHARJKLGG-UHFFFAOYSA-N |