4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
Chemical Structure Depiction of
4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
Compound characteristics
| Compound ID: | 8015-4909 |
| Compound Name: | 4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one |
| Molecular Weight: | 229.15 |
| Molecular Formula: | C6 H7 N5 O5 |
| Smiles: | CC(CCn1c(nc(n1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4399 |
| logD: | -0.4399 |
| logSw: | -0.2672 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.84 |
| InChI Key: | NYTIEZKKTYJYDU-UHFFFAOYSA-N |