3-(1H-1,2,4-triazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
Chemical Structure Depiction of
3-(1H-1,2,4-triazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
3-(1H-1,2,4-triazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate
Compound characteristics
| Compound ID: | 8005-5814 |
| Compound Name: | 3-(1H-1,2,4-triazol-3-yl)-1,2,3,4-oxatriazol-3-ium-5-olate |
| Molecular Weight: | 154.08 |
| Molecular Formula: | C3 H2 N6 O2 |
| Smiles: | c1nc(n[nH]1)[n+]1nc([O-])on1 |
| Stereo: | ACHIRAL |
| logP: | -1.4807 |
| logD: | -1.4815 |
| logSw: | -1.4246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.077 |
| InChI Key: | ZHAUZUGVGDLFPG-UHFFFAOYSA-N |