3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)prop-2-enoic acid
Chemical Structure Depiction of
3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)prop-2-enoic acid
3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)prop-2-enoic acid
Compound characteristics
| Compound ID: | 8020-8126 |
| Compound Name: | 3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)prop-2-enoic acid |
| Molecular Weight: | 155.11 |
| Molecular Formula: | C5 H5 N3 O3 |
| Smiles: | C(=C/C(O)=O)/C1NC(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2517 |
| logD: | -3.1825 |
| logSw: | -1.4834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.081 |
| InChI Key: | KVHXGAAKITUNCJ-UHFFFAOYSA-N |