3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C16H9N5 — CID 105392584

IUPAC3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cccc4cccnc34)n2c1
InChIInChI=1S/C16H9N5/c17-9-11-6-7-14-19-20-16(21(14)10-11)13-5-1-3-12-4-2-8-18-15(12)13/h1-8,10H
InChIKeyLRDZTCVRRJOEON-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.82
Rot. Bonds1

About 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392584) has the molecular formula C16H9N5 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392584
Molecular FormulaC16H9N5
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3cccc4cccnc34)n2c1
InChIInChI=1S/C16H9N5/c17-9-11-6-7-14-19-20-16(21(14)10-11)13-5-1-3-12-4-2-8-18-15(12)13/h1-8,10H
InChIKeyLRDZTCVRRJOEON-UHFFFAOYSA-N
XLogP2.82
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392853
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-quinolin-8-ylbenzonitrile
CID 4189045
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
2-[3,5-bis(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazole-6-carbonitrile
CID 167017151
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
8-pyridin-2-ylquinoline
CID 10982041

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392584) is 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(-c3cccc4cccnc34)n2c1.
What is the InChIKey of 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is LRDZTCVRRJOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5/c17-9-11-6-7-14-19-20-16(21(14)10-11)13-5-1-3-12-4-2-8-18-15(12)13/h1-8,10H.
What are the key properties of 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).