1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole

C19H20FN3 — CID 112718488

IUPAC1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole
SMILESCc1cc(CC(C)c2cn(Cc3ccccc3)nn2)ccc1F
InChIInChI=1S/C19H20FN3/c1-14-10-17(8-9-18(14)20)11-15(2)19-13-23(22-21-19)12-16-6-4-3-5-7-16/h3-10,13,15H,11-12H2,1-2H3
InChIKeyUMSDYLKHZJXBBI-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.12
Rot. Bonds5

About 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole

1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole (PubChem CID 112718488) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole.

Molecular Properties

Compound Name1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole
PubChem CID112718488
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole
SMILESCc1cc(CC(C)c2cn(Cc3ccccc3)nn2)ccc1F
InChIInChI=1S/C19H20FN3/c1-14-10-17(8-9-18(14)20)11-15(2)19-13-23(22-21-19)12-16-6-4-3-5-7-16/h3-10,13,15H,11-12H2,1-2H3
InChIKeyUMSDYLKHZJXBBI-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]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

(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-benzyl-4-[2-(3,4-difluorophenyl)propyl]triazole
CID 112719017
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-benzyl-4-[2-(3,4-dimethylphenyl)propyl]triazole
CID 112717972
1-benzyl-4-fluorotriazole
CID 102109152
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419923
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
diethyl 2-(1-benzyltriazol-4-yl)propanedioate
CID 134946268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole?
The IUPAC name of 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole (CID 112718488) is 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole.
What is the SMILES notation for 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole?
The canonical SMILES for 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole is Cc1cc(CC(C)c2cn(Cc3ccccc3)nn2)ccc1F.
What is the InChIKey of 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole?
The InChIKey is UMSDYLKHZJXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-14-10-17(8-9-18(14)20)11-15(2)19-13-23(22-21-19)12-16-6-4-3-5-7-16/h3-10,13,15H,11-12H2,1-2H3.
What are the key properties of 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole?
1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole has a molecular weight of 309.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(4-fluoro-3-methylphenyl)propan-2-yl]triazole is sourced from PubChem (CID 112718488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).