4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline

C18H14N4 — CID 57312525

IUPAC4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline
SMILESNc1ccc(-c2n[nH]nc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14N4/c19-14-10-8-13(9-11-14)17-18(21-22-20-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,19H2,(H,20,21,22)
InChIKeyAYTXVQYDXUAKPK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.87
Rot. Bonds2

About 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline

4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline (PubChem CID 57312525) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline.

Molecular Properties

Compound Name4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline
PubChem CID57312525
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline
SMILESNc1ccc(-c2n[nH]nc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14N4/c19-14-10-8-13(9-11-14)17-18(21-22-20-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,19H2,(H,20,21,22)
InChIKeyAYTXVQYDXUAKPK-UHFFFAOYSA-N
XLogP3.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-naphthalen-1-yl-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

4-(4-aminophenyl)-2,3,5,6-tetranaphthalen-1-ylaniline
CID 54185977
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
4-(5-iodo-2H-triazol-4-yl)aniline
CID 149362791
6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
CID 23311134
(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine
CID 142938521
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
4,5-diphenyl-2H-triazole
CID 613500
[4-(5-phenyl-2H-triazol-4-yl)phenyl]methanamine
CID 174848978
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
4-anthracen-1-ylaniline
CID 18974595

Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline?
The IUPAC name of 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline (CID 57312525) is 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline.
What is the SMILES notation for 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline?
The canonical SMILES for 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline is Nc1ccc(-c2n[nH]nc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline?
The InChIKey is AYTXVQYDXUAKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-14-10-8-13(9-11-14)17-18(21-22-20-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,19H2,(H,20,21,22).
What are the key properties of 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline?
4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-1-yl-2H-triazol-4-yl)aniline is sourced from PubChem (CID 57312525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).