1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole

C22H16F3N3 — CID 139239897

IUPAC1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)26-27-28(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeySXUQSGZYOGFTSR-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.68
Rot. Bonds4

About 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole

1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole (PubChem CID 139239897) has the molecular formula C22H16F3N3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole
PubChem CID139239897
Molecular FormulaC22H16F3N3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)26-27-28(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeySXUQSGZYOGFTSR-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]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

1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-[[4-[2-Fluoro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155525998
1-[[4-(2,4-Difluorophenyl)phenyl]methyl]benzotriazole
CID 155549028
1-Benzyl-4-(4-methyl-5-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219156
1-Benzyl-4-(5-methyl-4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219167
1-Benzyl-4-(4-methylphenyl)-1h-1,2,3-triazole
CID 57332736
1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
CID 283388
1-[(4-Methylphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789341
1-(Cyclohexylmethyl)-4-(4-pentylphenyl)triazole
CID 24789343
1-[[1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
CID 155564360
1-Benzyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 46862898

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole (CID 139239897) is 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole is FC(F)(F)c1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole?
The InChIKey is SXUQSGZYOGFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3/c23-22(24,25)19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)26-27-28(21)15-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole?
1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole has a molecular weight of 379.39 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 139239897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).