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

C15H11N3 — CID 50914035

IUPAC6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C#Cc2ccc3ncnn3c2)cc1
InChIInChI=1S/C15H11N3/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-16-11-17-18(15)10-14/h2-5,8-11H,1H3
InChIKeyKJYSJNQFQDMXKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.44
Rot. Bonds

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

6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 50914035) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID50914035
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C#Cc2ccc3ncnn3c2)cc1
InChIInChI=1S/C15H11N3/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-16-11-17-18(15)10-14/h2-5,8-11H,1H3
InChIKeyKJYSJNQFQDMXKU-UHFFFAOYSA-N
XLogP2.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-(4-methylphenyl)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-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
CID 59095683
N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 123664877
5-[2-(4-methylphenyl)ethynyl]pyrimidine
CID 44593410
6-(2-phenylethynyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50913149
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
3,8-bis[2-(4-methylphenyl)ethynyl]-1,10-phenanthroline
CID 100942044
2,5-dimethyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpyrrole
CID 139886765
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
CID 15317762
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 50914035) is 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C#Cc2ccc3ncnn3c2)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KJYSJNQFQDMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-12-2-4-13(5-3-12)6-7-14-8-9-15-16-11-17-18(15)10-14/h2-5,8-11H,1H3.
What are the key properties of 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 233.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 50914035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).