3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline

C16H15FN4O — CID 82369848

IUPAC3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1-n1cc(-c2ccc(F)c(C)c2)nn1
InChIInChI=1S/C16H15FN4O/c1-10-7-11(3-5-13(10)17)14-9-21(20-19-14)15-8-12(18)4-6-16(15)22-2/h3-9H,18H2,1-2H3
InChIKeyFGRALNYKEUUJNA-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.97
Rot. Bonds3

About 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline

3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline (PubChem CID 82369848) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline
PubChem CID82369848
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1-n1cc(-c2ccc(F)c(C)c2)nn1
InChIInChI=1S/C16H15FN4O/c1-10-7-11(3-5-13(10)17)14-9-21(20-19-14)15-8-12(18)4-6-16(15)22-2/h3-9H,18H2,1-2H3
InChIKeyFGRALNYKEUUJNA-UHFFFAOYSA-N
XLogP2.97
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline 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

3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
4-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369720
3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369782
4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
CID 82369844
4-[1-(2,4-dimethoxyphenyl)triazol-4-yl]aniline
CID 11702092
3-[4-(2,5-difluorophenyl)triazol-1-yl]-4-methylaniline
CID 82369881
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
3-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]-4-methylaniline
CID 82369886
1-[2-(bromomethyl)phenyl]-4-(3,4-dimethoxyphenyl)triazole
CID 165477049
1-(4-bromo-3-methylphenyl)-4-(3,4-dimethoxyphenyl)triazole
CID 165488717
1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole
CID 161465182
4-(4-fluoro-3-methylphenyl)imidazole-1,2-diamine
CID 82283259

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline?
The IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline (CID 82369848) is 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline.
What is the SMILES notation for 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline?
The canonical SMILES for 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline is COc1ccc(N)cc1-n1cc(-c2ccc(F)c(C)c2)nn1.
What is the InChIKey of 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline?
The InChIKey is FGRALNYKEUUJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-7-11(3-5-13(10)17)14-9-21(20-19-14)15-8-12(18)4-6-16(15)22-2/h3-9H,18H2,1-2H3.
What are the key properties of 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline?
3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline has a molecular weight of 298.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline is sourced from PubChem (CID 82369848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).