3-(2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-(2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
3-(2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8008-2610 |
| Compound Name: | 3-(2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2) |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C22 H33 N9 O2 |
| Salt: | 2HCl |
| Smiles: | CC1CCN(CC1)c1cc(c(cc1\C=N/Nc1nnc(C)n1N)[N+]([O-])=O)N1CCC(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6593 |
| logD: | 3.6592 |
| logSw: | -4.1533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.306 |
| InChI Key: | LVUBBZPTPZIYDU-OYKKKHCWSA-N |