1-(2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
1-(2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | 1152-0047 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 216.2 |
| Molecular Formula: | C10 H8 N4 O2 |
| Smiles: | C1Oc2ccc(/C=N/n3cnnc3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 0.6847 |
| logD: | 0.678 |
| logSw: | -1.5049 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.322 |
| InChI Key: | JWJCLWJMCDPESU-UHFFFAOYSA-N |