4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine

C17H12N4 — CID 54584317

IUPAC4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine
SMILESc1ccc2cc(-c3n[nH]nc3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-12(14)3-1)17-16(19-21-20-17)13-7-9-18-10-8-13/h1-11H,(H,19,20,21)
InChIKeyMTQPZJROIXYNGB-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine

4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine (PubChem CID 54584317) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine
PubChem CID54584317
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine
SMILESc1ccc2cc(-c3n[nH]nc3-c3ccncc3)ccc2c1
InChIInChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-12(14)3-1)17-16(19-21-20-17)13-7-9-18-10-8-13/h1-11H,(H,19,20,21)
InChIKeyMTQPZJROIXYNGB-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine?
The IUPAC name of 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine (CID 54584317) is 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine is c1ccc2cc(-c3n[nH]nc3-c3ccncc3)ccc2c1.
What is the InChIKey of 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine?
The InChIKey is MTQPZJROIXYNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-4-14-11-15(6-5-12(14)3-1)17-16(19-21-20-17)13-7-9-18-10-8-13/h1-11H,(H,19,20,21).
What are the key properties of 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine?
4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine has a molecular weight of 272.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-2-yl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 54584317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).