methyl 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
methyl 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7733 |
| Compound Name: | methyl 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate |
| Molecular Weight: | 143.1 |
| Molecular Formula: | C4 H5 N3 O3 |
| Smiles: | COC(C1NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5621 |
| logD: | -3.9719 |
| logSw: | -0.9486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.862 |
| InChI Key: | AGPKBXZPKSLZOJ-UHFFFAOYSA-N |