TL;DR: 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine (CAS 1245568-71-1) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
Also Known As: 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine, 5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine, 3-(2,4-Dimethoxyphenyl)-1H-1,2,4-triazol-5-amine, G23877
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.09602 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.09602 Da |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
| SMILES | COC1=CC(=C(C=C1)C2=NC(=NN2)N)OC |
| InChIKey | UDKYVTNKLFCNDE-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine has 2 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 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine is 1245568-71-1.
The molecular formula of 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine is C10H12N4O2.
The molecular weight of 5-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine is 220.09602 g/mol.
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