2-(4-methylphenyl)benzotriazol-5-amine

C13H12N4 — CID 721095

IUPAC2-(4-methylphenyl)benzotriazol-5-amine
SMILESCc1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C13H12N4/c1-9-2-5-11(6-3-9)17-15-12-7-4-10(14)8-13(12)16-17/h2-8H,14H2,1H3
InChIKeyNGXPIIYFSDAXOU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds1

About 2-(4-methylphenyl)benzotriazol-5-amine

2-(4-methylphenyl)benzotriazol-5-amine (PubChem CID 721095) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)benzotriazol-5-amine
PubChem CID721095
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(4-methylphenyl)benzotriazol-5-amine
SMILESCc1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C13H12N4/c1-9-2-5-11(6-3-9)17-15-12-7-4-10(14)8-13(12)16-17/h2-8H,14H2,1H3
InChIKeyNGXPIIYFSDAXOU-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
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

alpha-Methylbenzylaminobenzotriazole
CID 119340
2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
CID 822280
2-(3,4-Dimethyl-phenyl)-2H-benzotriazol-5-ylamine
CID 835193
2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 921808
2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 960733
2-Phenyl-2H-benzotriazol-5-ylamine
CID 721090
2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 783935
2-(2,4-Dimethylphenyl)-5-benzotriazolamine
CID 802111
2-(naphthalen-1-yl)-2H-benzo[d][1,2,3]triazol-5-amine
CID 721129

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)benzotriazol-5-amine?
The IUPAC name of 2-(4-methylphenyl)benzotriazol-5-amine (CID 721095) is 2-(4-methylphenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(4-methylphenyl)benzotriazol-5-amine is Cc1ccc(-n2nc3ccc(N)cc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)benzotriazol-5-amine?
The InChIKey is NGXPIIYFSDAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-2-5-11(6-3-9)17-15-12-7-4-10(14)8-13(12)16-17/h2-8H,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)benzotriazol-5-amine?
2-(4-methylphenyl)benzotriazol-5-amine has a molecular weight of 224.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)benzotriazol-5-amine is sourced from PubChem (CID 721095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).