3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1)
3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8005-5778 |
| Compound Name: | 3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 327.68 |
| Molecular Formula: | C10 H9 N7 O4 |
| Salt: | HCl |
| Smiles: | C1Oc2cc(/C=N/Nc3nncn3N)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5758 |
| logD: | 0.5757 |
| logSw: | -1.7092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.516 |
| InChI Key: | ROMYPADPDOVCQK-KGVSQERTSA-N |