[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol

C17H16FN3O — CID 82198742

IUPAC[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
SMILESCc1cc(C)cc(-n2nnc(CO)c2-c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN3O/c1-11-6-12(2)8-15(7-11)21-17(16(10-22)19-20-21)13-4-3-5-14(18)9-13/h3-9,22H,10H2,1-2H3
InChIKeyJBMKAKAWDXKZPT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.18
Rot. Bonds3

About [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol

[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol (PubChem CID 82198742) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
PubChem CID82198742
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
SMILESCc1cc(C)cc(-n2nnc(CO)c2-c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN3O/c1-11-6-12(2)8-15(7-11)21-17(16(10-22)19-20-21)13-4-3-5-14(18)9-13/h3-9,22H,10H2,1-2H3
InChIKeyJBMKAKAWDXKZPT-UHFFFAOYSA-N
XLogP3.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol 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-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82198604
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
4-(chloromethyl)-1-(3,5-difluorophenyl)-5-(3-methylphenyl)triazole
CID 56769798
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769459
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol (CID 82198742) is [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol is Cc1cc(C)cc(-n2nnc(CO)c2-c2cccc(F)c2)c1.
What is the InChIKey of [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is JBMKAKAWDXKZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11-6-12(2)8-15(7-11)21-17(16(10-22)19-20-21)13-4-3-5-14(18)9-13/h3-9,22H,10H2,1-2H3.
What are the key properties of [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol?
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82198742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).