4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole

C12H14FN3 — CID 112718489

IUPAC4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole
SMILESCc1cc(CCc2cn(C)nn2)ccc1F
InChIInChI=1S/C12H14FN3/c1-9-7-10(4-6-12(9)13)3-5-11-8-16(2)15-14-11/h4,6-8H,3,5H2,1-2H3
InChIKeyOZQTZAZNKKZBRK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.05
Rot. Bonds3

About 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole

4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole (PubChem CID 112718489) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole
PubChem CID112718489
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole
SMILESCc1cc(CCc2cn(C)nn2)ccc1F
InChIInChI=1S/C12H14FN3/c1-9-7-10(4-6-12(9)13)3-5-11-8-16(2)15-14-11/h4,6-8H,3,5H2,1-2H3
InChIKeyOZQTZAZNKKZBRK-UHFFFAOYSA-N
XLogP2.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole 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-(1-methyltriazol-4-yl)ethyl]pyridin-2-amine
CID 107054471
4-[2-(3-bromophenyl)ethyl]-1-methyltriazole
CID 112717449
4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
CID 112717080
4-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]-1-methyltriazole
CID 175294576
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
ethane;1-methyl-4-propyltriazole
CID 168923376
1,3-dimethyl-4-[2-(1-methyltriazol-4-yl)ethyl]pyridin-1-ium
CID 118390204
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
1-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046860

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole (CID 112718489) is 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole is Cc1cc(CCc2cn(C)nn2)ccc1F.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole?
The InChIKey is OZQTZAZNKKZBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-7-10(4-6-12(9)13)3-5-11-8-16(2)15-14-11/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole?
4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole has a molecular weight of 219.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole is sourced from PubChem (CID 112718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).