4-(5-naphthalen-2-yltriazol-1-yl)pyridine

C17H12N4 — CID 54585290

IUPAC4-(5-naphthalen-2-yltriazol-1-yl)pyridine
SMILESc1ccc2cc(-c3cnnn3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-13(14)3-1)17-12-19-20-21(17)16-7-9-18-10-8-16/h1-12H
InChIKeyHDRATJLMZLLEKE-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 4-(5-naphthalen-2-yltriazol-1-yl)pyridine

4-(5-naphthalen-2-yltriazol-1-yl)pyridine (PubChem CID 54585290) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(5-naphthalen-2-yltriazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(5-naphthalen-2-yltriazol-1-yl)pyridine
PubChem CID54585290
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(5-naphthalen-2-yltriazol-1-yl)pyridine
SMILESc1ccc2cc(-c3cnnn3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-13(14)3-1)17-12-19-20-21(17)16-7-9-18-10-8-16/h1-12H
InChIKeyHDRATJLMZLLEKE-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-naphthalen-2-yltriazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-2-yltriazol-1-yl)pyridine?
The IUPAC name of 4-(5-naphthalen-2-yltriazol-1-yl)pyridine (CID 54585290) is 4-(5-naphthalen-2-yltriazol-1-yl)pyridine.
What is the SMILES notation for 4-(5-naphthalen-2-yltriazol-1-yl)pyridine?
The canonical SMILES for 4-(5-naphthalen-2-yltriazol-1-yl)pyridine is c1ccc2cc(-c3cnnn3-c3ccncc3)ccc2c1.
What is the InChIKey of 4-(5-naphthalen-2-yltriazol-1-yl)pyridine?
The InChIKey is HDRATJLMZLLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-13(14)3-1)17-12-19-20-21(17)16-7-9-18-10-8-16/h1-12H.
What are the key properties of 4-(5-naphthalen-2-yltriazol-1-yl)pyridine?
4-(5-naphthalen-2-yltriazol-1-yl)pyridine has a molecular weight of 272.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-2-yltriazol-1-yl)pyridine is sourced from PubChem (CID 54585290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).