5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8012-0089 |
| Compound Name: | 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 130.06 |
| Molecular Formula: | C2 H2 N4 O3 |
| Smiles: | C1(NC(NN=1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.4159 |
| logD: | -6.1453 |
| logSw: | -1.2194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.412 |
| InChI Key: | QJTIRVUEVSKJTK-UHFFFAOYSA-N |