1,3-dimethyl-2-[(6-nitro-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium
Chemical Structure Depiction of
1,3-dimethyl-2-[(6-nitro-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium
1,3-dimethyl-2-[(6-nitro-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium
Compound characteristics
| Compound ID: | 8016-1028 |
| Compound Name: | 1,3-dimethyl-2-[(6-nitro-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium |
| Molecular Weight: | 414.2 |
| Molecular Formula: | C13 H15 N6 O2 |
| Salt: | I- |
| Smiles: | Cc1ccc[n+](C)c1CC1C(=CNc2ncnn12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2848 |
| logD: | 1.2775 |
| logSw: | -1.7719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.943 |
| InChI Key: | RQYJGPBCFVBJQV-NSHDSACASA-N |