3-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
3-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8008-6841 |
| Compound Name: | 3-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2) |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C15 H20 N8 O2 |
| Salt: | 2HCl |
| Smiles: | CC1CCN(CC1)c1ccc(\C=N/Nc2nncn2N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8758 |
| logD: | 1.8758 |
| logSw: | -2.5532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.552 |
| InChI Key: | IRJMGSJJRXHZQS-MFOYZWKCSA-N |