TL;DR: 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone (CAS 1610549-84-2) is a chemical compound with molecular formula C16H13ClN6 and molecular weight 324.08902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(4-chlorophenyl)methylideneamino]-1,2-dihydro-[1,2,4]triazino[4,3-a]benzimidazol-3-amine
Also Known As: AN-829/14685016, 4-chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone, N-[(E)-(4-chlorophenyl)methylideneamino]-1,2-dihydro-[1,2,4]triazino[4,3-a]benzimidazol-3-amine
| Molecular Formula | C16H13ClN6 |
| Molecular Weight | 324.08902 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.08902 Da |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
| SMILES | C1=CC=C2C(=C1)N=C3N2C=C(NN3)N/N=C/C4=CC=C(C=C4)Cl |
| InChIKey | ZBNZMSUGDPAPSB-GIJQJNRQSA-N |
The XLogP value of 5.5 indicates that 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone. Following Lipinski's Rule of Five, 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone is 1610549-84-2.
The molecular formula of 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone is C16H13ClN6.
The molecular weight of 4-Chlorobenzaldehyde 1,2-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-ylhydrazone is 324.08902 g/mol.
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