1-(2-ethoxy-2-oxoethyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Chemical Structure Depiction of
1-(2-ethoxy-2-oxoethyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
1-(2-ethoxy-2-oxoethyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Compound characteristics
| Compound ID: | 8002-5066 |
| Compound Name: | 1-(2-ethoxy-2-oxoethyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C12 H16 N4 O3 |
| Smiles: | CCc1c(c2n(CC(=O)OCC)nc[n+]2nc1C)[O-] |
| Stereo: | ACHIRAL |
| logP: | 1.1341 |
| logD: | 1.1334 |
| logSw: | -1.0075 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.736 |
| InChI Key: | UTPGVIGZFNVDNG-UHFFFAOYSA-N |