TL;DR: Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine (CAS 1548833-58-4) is a chemical compound with molecular formula C12H17N7 and molecular weight 259.15454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
Also Known As: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine, Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine, N-[(4-diethylaminophenyl)methylideneamino]-2H-tetrazol-5-amine, (E)-4-((2-(1H-tetrazol-5-yl)hydrazono)methyl)-N,N-diethylaniline, N,N-diethyl-4-{(E)-[2-(1H-tetrazol-5-yl)hydrazinylidene]methyl}aniline
| Molecular Formula | C12H17N7 |
| Molecular Weight | 259.15454 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.15454 Da |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC2=NNN=N2 |
| InChIKey | UPIXXZNPLPKAND-UKTHLTGXSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine. Following Lipinski's Rule of Five, Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine is 1548833-58-4.
The molecular formula of Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine is C12H17N7.
The molecular weight of Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine is 259.15454 g/mol.
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