1-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propan-2-one
Chemical Structure Depiction of
1-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propan-2-one
1-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propan-2-one
Compound characteristics
| Compound ID: | 8009-8686 |
| Compound Name: | 1-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propan-2-one |
| Molecular Weight: | 215.12 |
| Molecular Formula: | C5 H5 N5 O5 |
| Smiles: | CC(Cn1c(nc(n1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5453 |
| logD: | -0.5453 |
| logSw: | -0.2179 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.862 |
| InChI Key: | GIXLKJRGNJIETC-UHFFFAOYSA-N |