1-methyl-4-[(6-nitro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-methyl-4-[(6-nitro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium--iodide (1/1)
1-methyl-4-[(6-nitro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8015-3689 |
| Compound Name: | 1-methyl-4-[(6-nitro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 398.16 |
| Molecular Formula: | C12 H11 N6 O2 |
| Salt: | I- |
| Smiles: | C[n+]1ccc(Cc2c(cnc3ncnn23)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.2242 |
| logD: | 0.2242 |
| logSw: | -1.1169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.947 |
| InChI Key: | VZVZOGOVHQNNJH-UHFFFAOYSA-N |