TL;DR: 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine (CAS 121845-78-1) is a chemical compound with molecular formula C14H11FN4 and molecular weight 254.09677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazine
Also Known As: 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine, 3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazine, Pyrido[3,4-e]-1,2,4-triazine,3-(4-fluorophenyl)-5,7-dimethyl-, 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazine, 3-(4-fluorophenyl)-5,7-dimethyl-pyrido[3,4-e][1,2,4]triazine
| Molecular Formula | C14H11FN4 |
| Molecular Weight | 254.09677 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.09677 Da |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
| SMILES | CC1=CC2=C(C(=N1)C)N=C(N=N2)C3=CC=C(C=C3)F |
| InChIKey | CCDSSJHYLBLXRY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(4-Fluoro-phenyl)-5,7-dimethyl-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-Fluoro-phenyl)-5,7-dimethyl-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-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine is 121845-78-1.
The molecular formula of 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine is C14H11FN4.
The molecular weight of 3-(4-Fluoro-phenyl)-5,7-dimethyl-pyrido(3,4-e)(1,2,4)triazine is 254.09677 g/mol.
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