4-(3-naphthalen-2-yltriazol-4-yl)pyridine

C17H12N4 — CID 54587261

IUPAC4-(3-naphthalen-2-yltriazol-4-yl)pyridine
SMILESc1ccc2cc(-n3nncc3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-15-11-16(6-5-13(15)3-1)21-17(12-19-20-21)14-7-9-18-10-8-14/h1-12H
InChIKeyFCDZUFRFVMBMLO-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 4-(3-naphthalen-2-yltriazol-4-yl)pyridine

4-(3-naphthalen-2-yltriazol-4-yl)pyridine (PubChem CID 54587261) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(3-naphthalen-2-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(3-naphthalen-2-yltriazol-4-yl)pyridine
PubChem CID54587261
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(3-naphthalen-2-yltriazol-4-yl)pyridine
SMILESc1ccc2cc(-n3nncc3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-15-11-16(6-5-13(15)3-1)21-17(12-19-20-21)14-7-9-18-10-8-14/h1-12H
InChIKeyFCDZUFRFVMBMLO-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-2-yltriazol-4-yl)pyridine?
The IUPAC name of 4-(3-naphthalen-2-yltriazol-4-yl)pyridine (CID 54587261) is 4-(3-naphthalen-2-yltriazol-4-yl)pyridine.
What is the SMILES notation for 4-(3-naphthalen-2-yltriazol-4-yl)pyridine?
The canonical SMILES for 4-(3-naphthalen-2-yltriazol-4-yl)pyridine is c1ccc2cc(-n3nncc3-c3ccncc3)ccc2c1.
What is the InChIKey of 4-(3-naphthalen-2-yltriazol-4-yl)pyridine?
The InChIKey is FCDZUFRFVMBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-4-15-11-16(6-5-13(15)3-1)21-17(12-19-20-21)14-7-9-18-10-8-14/h1-12H.
What are the key properties of 4-(3-naphthalen-2-yltriazol-4-yl)pyridine?
4-(3-naphthalen-2-yltriazol-4-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-(3-naphthalen-2-yltriazol-4-yl)pyridine is sourced from PubChem (CID 54587261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).