4-methyl-3-(4-phenyltriazol-1-yl)aniline

C15H14N4 — CID 82369853

IUPAC4-methyl-3-(4-phenyltriazol-1-yl)aniline
SMILESCc1ccc(N)cc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4/c1-11-7-8-13(16)9-15(11)19-10-14(17-18-19)12-5-3-2-4-6-12/h2-10H,16H2,1H3
InChIKeyNWDSENTYFJPYJH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds2

About 4-methyl-3-(4-phenyltriazol-1-yl)aniline

4-methyl-3-(4-phenyltriazol-1-yl)aniline (PubChem CID 82369853) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-methyl-3-(4-phenyltriazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(4-phenyltriazol-1-yl)aniline
PubChem CID82369853
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-methyl-3-(4-phenyltriazol-1-yl)aniline
SMILESCc1ccc(N)cc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4/c1-11-7-8-13(16)9-15(11)19-10-14(17-18-19)12-5-3-2-4-6-12/h2-10H,16H2,1H3
InChIKeyNWDSENTYFJPYJH-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(4-phenyltriazol-1-yl)aniline 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-(2,5-difluorophenyl)triazol-1-yl]-4-methylaniline
CID 82369881
3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
3-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]-4-methylaniline
CID 82369886
4-methyl-3-[4-(4-methylphenyl)triazol-1-yl]benzoic acid
CID 82369930
1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
CID 134835762
4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
CID 82369844
3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369848
4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
CID 71613057
1-(2,5-dibromophenyl)-4-phenyltriazole
CID 141406964
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-phenyltriazol-1-yl)aniline?
The IUPAC name of 4-methyl-3-(4-phenyltriazol-1-yl)aniline (CID 82369853) is 4-methyl-3-(4-phenyltriazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-3-(4-phenyltriazol-1-yl)aniline?
The canonical SMILES for 4-methyl-3-(4-phenyltriazol-1-yl)aniline is Cc1ccc(N)cc1-n1cc(-c2ccccc2)nn1.
What is the InChIKey of 4-methyl-3-(4-phenyltriazol-1-yl)aniline?
The InChIKey is NWDSENTYFJPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-7-8-13(16)9-15(11)19-10-14(17-18-19)12-5-3-2-4-6-12/h2-10H,16H2,1H3.
What are the key properties of 4-methyl-3-(4-phenyltriazol-1-yl)aniline?
4-methyl-3-(4-phenyltriazol-1-yl)aniline has a molecular weight of 250.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-phenyltriazol-1-yl)aniline is sourced from PubChem (CID 82369853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).