3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C15H8N4O — CID 105392546

IUPAC3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cc4ccccc4o3)n2c1
InChIInChI=1S/C15H8N4O/c16-8-10-5-6-14-17-18-15(19(14)9-10)13-7-11-3-1-2-4-12(11)20-13/h1-7,9H
InChIKeyGIKXPJLOQHXMKC-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.01
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392546) has the molecular formula C15H8N4O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392546
Molecular FormulaC15H8N4O
Molecular Weight260.26 g/mol
Exact Mass260.07
IUPAC Name3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cc4ccccc4o3)n2c1
InChIInChI=1S/C15H8N4O/c16-8-10-5-6-14-17-18-15(19(14)9-10)13-7-11-3-1-2-4-12(11)20-13/h1-7,9H
InChIKeyGIKXPJLOQHXMKC-UHFFFAOYSA-N
XLogP3.01
TPSA67.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392546) is 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(-c3cc4ccccc4o3)n2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is GIKXPJLOQHXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O/c16-8-10-5-6-14-17-18-15(19(14)9-10)13-7-11-3-1-2-4-12(11)20-13/h1-7,9H.
What are the key properties of 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 260.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).