6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine

C8H5N3 — CID 59095683

IUPAC6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC#Cc1ccc2ncnn2c1
InChIInChI=1S/C8H5N3/c1-2-7-3-4-8-9-6-10-11(8)5-7/h1,3-6H
InChIKeyQKNYQTHGOWLWND-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.71
Rot. Bonds

About 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine

6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59095683) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59095683
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC#Cc1ccc2ncnn2c1
InChIInChI=1S/C8H5N3/c1-2-7-3-4-8-9-6-10-11(8)5-7/h1,3-6H
InChIKeyQKNYQTHGOWLWND-UHFFFAOYSA-N
XLogP0.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 50914035
6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 123664877
6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile
CID 155787607
[1,2,4]triazolo[1,5-a]pyridine-6-carbohydrazide
CID 169101289
N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide
CID 83877712
6-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162507375
6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 178068943
[1,2,4]triazolo[1,5-a]pyrazine-6-thiol
CID 163941645
6-(2-phenylethynyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50913149
6-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile
CID 134328388
6-fluoro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137332707

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine (CID 59095683) is 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine is C#Cc1ccc2ncnn2c1.
What is the InChIKey of 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QKNYQTHGOWLWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c1-2-7-3-4-8-9-6-10-11(8)5-7/h1,3-6H.
What are the key properties of 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine?
6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 143.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59095683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).