4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one
Chemical Structure Depiction of
4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one
4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one
Compound characteristics
| Compound ID: | 1816-0021 |
| Compound Name: | 4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one |
| Molecular Weight: | 184.15 |
| Molecular Formula: | C6 H8 N4 O3 |
| Smiles: | CC(CCn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4652 |
| logD: | -0.4652 |
| logSw: | -0.7497 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.219 |
| InChI Key: | TVOPQTRZSBLUNV-UHFFFAOYSA-N |