7-[(1-methylpyridin-1-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
Chemical Structure Depiction of
7-[(1-methylpyridin-1-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
7-[(1-methylpyridin-1-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide
Compound characteristics
| Compound ID: | 8015-3688 |
| Compound Name: | 7-[(1-methylpyridin-1-ium-2-yl)methyl]-6-nitro-7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ide |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C12 H12 N6 O2 |
| Smiles: | C[n+]1ccccc1CC1C(=C[N-]c2ncnn12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7803 |
| logD: | 0.7803 |
| logSw: | -1.5708 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.167 |
| InChI Key: | BBWUNRFCTXJJRN-JTQLQIEISA-N |