3-ethyl-5-(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-ethyl-5-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
3-ethyl-5-(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: | 3277-0281 |
| Compound Name: | 3-ethyl-5-(2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2) |
| Molecular Weight: | 445.35 |
| Molecular Formula: | C17 H24 N8 O2 |
| Salt: | 2HCl |
| Smiles: | CCc1nnc(N/N=C/c2ccc(c(c2)[N+]([O-])=O)N2CCC(C)CC2)n1N |
| Stereo: | ACHIRAL |
| logP: | 2.545 |
| logD: | 2.5448 |
| logSw: | -2.8919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.353 |
| InChI Key: | RRIABCVKWRTOMY-YBFXNURJSA-N |