6-methyl-1-[(2-nitrophenyl)methyl]-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Chemical Structure Depiction of
6-methyl-1-[(2-nitrophenyl)methyl]-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
6-methyl-1-[(2-nitrophenyl)methyl]-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Compound characteristics
| Compound ID: | 8006-3243 |
| Compound Name: | 6-methyl-1-[(2-nitrophenyl)methyl]-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C13 H11 N5 O3 |
| Smiles: | Cc1cc(c2n(Cc3ccccc3[N+]([O-])=O)nc[n+]2n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 1.2339 |
| logD: | 1.2336 |
| logSw: | -1.8694 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.685 |
| InChI Key: | HLTZBJIDDSYJRZ-UHFFFAOYSA-N |