6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine

C16H12FN3O — CID 171920546

IUPAC6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXMNLECQWWIPOCX-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.35
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine

6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 171920546) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
PubChem CID171920546
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXMNLECQWWIPOCX-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
CID 82390734
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
6-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67224067
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 83823920
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine (CID 171920546) is 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is XMNLECQWWIPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 281.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 171920546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).