3-carboxy-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Chemical Structure Depiction of
3-carboxy-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-carboxy-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-0579 |
| Compound Name: | 3-carboxy-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 225.16 |
| Molecular Formula: | C7 H7 N5 O4 |
| Smiles: | Cc1c(C(O)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | -0.4277 |
| logD: | -3.7439 |
| logSw: | -0.5977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.893 |
| InChI Key: | CPJVXJNTTITMFT-UHFFFAOYSA-N |