TL;DR: 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine (CAS 329213-66-3) is a chemical compound with molecular formula C8H7IN6 and molecular weight 313.9777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-iodophenyl)methylideneamino]tetrazol-5-amine
Also Known As: 1-[(3-iodophenyl)methylideneamino]tetrazol-5-amine, N-(5-amino-1H-tetraazol-1-yl)-N-(3-iodobenzylidene)amine
| Molecular Formula | C8H7IN6 |
| Molecular Weight | 313.9777 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.9777 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| SMILES | C1=CC(=CC(=C1)I)C=NN2C(=NN=N2)N |
| InChIKey | MOWSPCBFASXMQH-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine. Following Lipinski's Rule of Five, 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine is 329213-66-3.
The molecular formula of 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine is C8H7IN6.
The molecular weight of 1-[(3-Iodophenyl)methylideneamino]tetrazol-5-amine is 313.9777 g/mol.
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