1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | 8001-0020 |
| Compound Name: | 1-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 261.19 |
| Molecular Formula: | C10 H7 N5 O4 |
| Smiles: | C1Oc2cc(/C=N/n3cnnc3)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5811 |
| logD: | 0.5806 |
| logSw: | -1.3042 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.402 |
| InChI Key: | XQFKDVFIDIPOAA-UHFFFAOYSA-N |