TL;DR: Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- (CAS 141078-97-9) is a chemical compound with molecular formula C21H18N4O and molecular weight 342.14807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)-, 4-(4-(4-Methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyridine, 4-[4-(4-Methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]pyridine, BRN 5451656
| Molecular Formula | C21H18N4O |
| Molecular Weight | 342.14807 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.14807 Da |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)COC4=CC=CC=C4 |
| InChIKey | MAQKZACFIFXJSU-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- is 141078-97-9.
The molecular formula of Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- is C21H18N4O.
The molecular weight of Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)- is 342.14807 g/mol.
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