1-[(2,4-dichlorophenyl)methyl]-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Chemical Structure Depiction of
1-[(2,4-dichlorophenyl)methyl]-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
1-[(2,4-dichlorophenyl)methyl]-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Compound characteristics
| Compound ID: | 8006-7386 |
| Compound Name: | 1-[(2,4-dichlorophenyl)methyl]-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate |
| Molecular Weight: | 309.15 |
| Molecular Formula: | C13 H10 Cl2 N4 O |
| Smiles: | Cc1cc(c2n(Cc3ccc(cc3[Cl])[Cl])nc[n+]2n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.6073 |
| logD: | 2.607 |
| logSw: | -2.4935 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.604 |
| InChI Key: | ZZIXLNCOSRTBAE-UHFFFAOYSA-N |