2-(5-phenyl-2H-triazol-4-yl)aniline

C14H12N4 — CID 152694485

IUPAC2-(5-phenyl-2H-triazol-4-yl)aniline
SMILESNc1ccccc1-c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H12N4/c15-12-9-5-4-8-11(12)14-13(16-18-17-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17,18)
InChIKeyZQGHQTNZDZPUJC-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-phenyl-2H-triazol-4-yl)aniline

2-(5-phenyl-2H-triazol-4-yl)aniline (PubChem CID 152694485) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(5-phenyl-2H-triazol-4-yl)aniline.

Molecular Properties

Compound Name2-(5-phenyl-2H-triazol-4-yl)aniline
PubChem CID152694485
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(5-phenyl-2H-triazol-4-yl)aniline
SMILESNc1ccccc1-c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H12N4/c15-12-9-5-4-8-11(12)14-13(16-18-17-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17,18)
InChIKeyZQGHQTNZDZPUJC-UHFFFAOYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-phenyl-2H-triazol-4-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

1H-Pyrazole, 3,5-diphenyl-
CID 70840
4,5-Diphenyl-1,2,3-triazole
CID 613500
4-Triazolylaniline
CID 9898901
3-(2H-1,2,3-triazol-4-yl)aniline
CID 9964175
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
3,5-diphenyl-1H-pyrazol-4-amine
CID 726119
2-(1h-1,2,3-Triazol-5-yl)aniline
CID 19702149
4-(3-phenyl-1H-pyrazol-5-yl)aniline
CID 11053617
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
2,4,5-Triphenyl-1,2,3-triazol
CID 561195

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-2H-triazol-4-yl)aniline?
The IUPAC name of 2-(5-phenyl-2H-triazol-4-yl)aniline (CID 152694485) is 2-(5-phenyl-2H-triazol-4-yl)aniline.
What is the SMILES notation for 2-(5-phenyl-2H-triazol-4-yl)aniline?
The canonical SMILES for 2-(5-phenyl-2H-triazol-4-yl)aniline is Nc1ccccc1-c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2-(5-phenyl-2H-triazol-4-yl)aniline?
The InChIKey is ZQGHQTNZDZPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-12-9-5-4-8-11(12)14-13(16-18-17-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17,18).
What are the key properties of 2-(5-phenyl-2H-triazol-4-yl)aniline?
2-(5-phenyl-2H-triazol-4-yl)aniline has a molecular weight of 236.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-2H-triazol-4-yl)aniline is sourced from PubChem (CID 152694485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).