TL;DR: {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol (CAS 1010813-58-7) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-amino-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
Also Known As: starbld0011350, {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol, (4-amino-4H-1,2,4-triazole-3,5-diyl)bis(phenylmethanol), [4-amino-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol, [4-amino-5-(hydroxy-phenyl-methyl)-1,2,4-triazol-3-yl]-phenyl-methanol
| Molecular Formula | C16H16N4O2 |
| Molecular Weight | 296.12732 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.12732 Da |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
| SMILES | C1=CC=C(C=C1)C(C2=NN=C(N2N)C(C3=CC=CC=C3)O)O |
| InChIKey | OVMFKQXQRXUOKW-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol. Following Lipinski's Rule of Five, {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol 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-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol is 1010813-58-7.
The molecular formula of {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol is C16H16N4O2.
The molecular weight of {4-Amino-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}(phenyl)methanol is 296.12732 g/mol.
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