2-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-4,6-dinitrophenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-4,6-dinitrophenol--hydrogen chloride (1/1)
2-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-4,6-dinitrophenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8001-7888 |
| Compound Name: | 2-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-4,6-dinitrophenol--hydrogen chloride (1/1) |
| Molecular Weight: | 344.67 |
| Molecular Formula: | C9 H8 N8 O5 |
| Salt: | HCl |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/Nc1nncn1N |
| Stereo: | ACHIRAL |
| logP: | 0.7662 |
| logD: | -3.0677 |
| logSw: | -1.7065 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 147.261 |
| InChI Key: | XBMSFWTXGAGVRF-QDEBKDIKSA-N |