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

C15H14N4 — CID 114689600

IUPAC2-methyl-4-(3-phenyltriazol-4-yl)aniline
SMILESCc1cc(-c2cnnn2-c2ccccc2)ccc1N
InChIInChI=1S/C15H14N4/c1-11-9-12(7-8-14(11)16)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-10H,16H2,1H3
InChIKeyKIPRCZQTYDQKHG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-4-(3-phenyltriazol-4-yl)aniline

2-methyl-4-(3-phenyltriazol-4-yl)aniline (PubChem CID 114689600) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methyl-4-(3-phenyltriazol-4-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(3-phenyltriazol-4-yl)aniline
PubChem CID114689600
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-methyl-4-(3-phenyltriazol-4-yl)aniline
SMILESCc1cc(-c2cnnn2-c2ccccc2)ccc1N
InChIInChI=1S/C15H14N4/c1-11-9-12(7-8-14(11)16)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-10H,16H2,1H3
InChIKeyKIPRCZQTYDQKHG-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'}

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Related Compounds

4-(3-phenyltriazol-4-yl)aniline
CID 53485501
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689828
2-methyl-5-(2-phenylpyrazol-3-yl)aniline
CID 107331025
3-[5-(3,4-dimethylphenyl)triazol-1-yl]benzoic acid
CID 82221979
1-[2-chloro-4-(3-phenyltriazol-4-yl)phenyl]ethanone
CID 114689684
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
4-[5-(3,4-dichlorophenyl)triazol-1-yl]aniline
CID 82222250
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
3-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]benzoic acid
CID 82222575
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenyltriazol-4-yl)aniline?
The IUPAC name of 2-methyl-4-(3-phenyltriazol-4-yl)aniline (CID 114689600) is 2-methyl-4-(3-phenyltriazol-4-yl)aniline.
What is the SMILES notation for 2-methyl-4-(3-phenyltriazol-4-yl)aniline?
The canonical SMILES for 2-methyl-4-(3-phenyltriazol-4-yl)aniline is Cc1cc(-c2cnnn2-c2ccccc2)ccc1N.
What is the InChIKey of 2-methyl-4-(3-phenyltriazol-4-yl)aniline?
The InChIKey is KIPRCZQTYDQKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-9-12(7-8-14(11)16)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-10H,16H2,1H3.
What are the key properties of 2-methyl-4-(3-phenyltriazol-4-yl)aniline?
2-methyl-4-(3-phenyltriazol-4-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 2-methyl-4-(3-phenyltriazol-4-yl)aniline is sourced from PubChem (CID 114689600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).