3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C22H15F4N3O — CID 51362120

IUPAC3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H15F4N3O/c1-30-19-11-7-15(8-12-19)21-28-27-20(14-5-9-17(23)10-6-14)29(21)18-4-2-3-16(13-18)22(24,25)26/h2-13H,1H3
InChIKeyVUKSAOMYQPUAQE-UHFFFAOYSA-N
MW413.37 g/mol
LogP5.77
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 51362120) has the molecular formula C22H15F4N3O and a molecular weight of 413.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID51362120
Molecular FormulaC22H15F4N3O
Molecular Weight413.37 g/mol
Exact Mass413.12
IUPAC Name3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCOc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H15F4N3O/c1-30-19-11-7-15(8-12-19)21-28-27-20(14-5-9-17(23)10-6-14)29(21)18-4-2-3-16(13-18)22(24,25)26/h2-13H,1H3
InChIKeyVUKSAOMYQPUAQE-UHFFFAOYSA-N
XLogP5.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole 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

4-[2-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 42977431
2-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 27944205
2-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)propanamide
CID 55523755
methyl 2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]but-2-enoate
CID 136811680
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 145101520
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
4-ethyl-3-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17383049
3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(3-methylphenyl)-1,2,4-triazole
CID 42799441
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135782089
[2-(3,4-dimethoxyphenyl)-4,5-dihydroxy-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 90723314

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 51362120) is 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is COc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is VUKSAOMYQPUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O/c1-30-19-11-7-15(8-12-19)21-28-27-20(14-5-9-17(23)10-6-14)29(21)18-4-2-3-16(13-18)22(24,25)26/h2-13H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 413.37 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 51362120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).