TL;DR: 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine (CAS 121845-55-4) is a chemical compound with molecular formula C12H7FN4 and molecular weight 226.06548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)pyrido[3,4-e][1,2,4]triazine
Also Known As: 3-(4-fluorophenyl)pyrido[3,4-e][1,2,4]triazine, 3-(4-Fluoro-phenyl)-pyrido(3,4-e)(1,2,4)triazine, Pyrido[3,4-e]-1,2,4-triazine,3-(4-fluorophenyl)-, Pyrido[3,4-e]-1,2,4-triazine, 3-(4-fluorophenyl)-, 3-(4-Fluorophenyl)pyrido[3,4-e]-1,2,4-triazine
| Molecular Formula | C12H7FN4 |
| Molecular Weight | 226.06548 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.06548 Da |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
| SMILES | C1=CC(=CC=C1C2=NC3=C(C=CN=C3)N=N2)F |
| InChIKey | MTOKXMIUBZRWQT-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine has 0 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 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine is 121845-55-4.
The molecular formula of 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine is C12H7FN4.
The molecular weight of 3-(4-Fluorophenyl)pyrido[3,4-e][1,2,4]triazine is 226.06548 g/mol.
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