TL;DR: 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol (CAS 1009033-96-8) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.09604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-amino-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol
Also Known As: 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol, 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]phenol, 4-[4-amino-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol, J1.086.626J, 11P-672
| Molecular Formula | C14H12N4O2 |
| Molecular Weight | 268.09604 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09604 Da |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
| SMILES | C1=CC(=CC=C1C2=NN=C(N2N)C3=CC=C(C=C3)O)O |
| InChIKey | KNVHHGXTGJXUAC-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol. Following Lipinski's Rule of Five, 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol has 3 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 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol is 1009033-96-8.
The molecular formula of 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol is C14H12N4O2.
The molecular weight of 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol is 268.09604 g/mol.
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