7-[(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
Chemical Structure Depiction of
7-[(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
7-[(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
Compound characteristics
| Compound ID: | 8012-5263 |
| Compound Name: | 7-[(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide |
| Molecular Weight: | 325.33 |
| Molecular Formula: | C15 H15 N7 O2 |
| Smiles: | Cn1c2ccccc2[n+](C)c1CC1C(=C[N-]c2ncnn12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3594 |
| logD: | 1.3594 |
| logSw: | -1.8238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.804 |
| InChI Key: | NGQJBJKTGYZIEN-LBPRGKRZSA-N |