1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole

C19H18FN3 — CID 135057883

IUPAC1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole
SMILESCC(C)=Cc1cc(F)ccc1-c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18FN3/c1-14(2)10-16-11-17(20)8-9-18(16)19-13-23(22-21-19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyJEZSCVQMBSUZMW-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.56
Rot. Bonds4

About 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole

1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole (PubChem CID 135057883) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole.

Molecular Properties

Compound Name1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole
PubChem CID135057883
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole
SMILESCC(C)=Cc1cc(F)ccc1-c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18FN3/c1-14(2)10-16-11-17(20)8-9-18(16)19-13-23(22-21-19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyJEZSCVQMBSUZMW-UHFFFAOYSA-N
XLogP4.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)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

2-(1-benzyltriazol-4-yl)benzaldehyde
CID 86652420
1-benzyl-4-fluorotriazole
CID 102109152
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane
CID 166520408
3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide
CID 141289595
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
N-[(S)-(1-benzyltriazol-4-yl)-(4-fluorophenyl)methyl]acetamide
CID 102516209
1-benzyl-4-(2-bromothiophen-3-yl)triazole
CID 132571161
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole?
The IUPAC name of 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole (CID 135057883) is 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole.
What is the SMILES notation for 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole?
The canonical SMILES for 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole is CC(C)=Cc1cc(F)ccc1-c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole?
The InChIKey is JEZSCVQMBSUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-14(2)10-16-11-17(20)8-9-18(16)19-13-23(22-21-19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole?
1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole has a molecular weight of 307.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole is sourced from PubChem (CID 135057883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).