2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C14H11N3O — CID 82389030

IUPAC2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2nc3ccc(C=O)cn3n2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(7-10)14-15-13-6-5-11(9-18)8-17(13)16-14/h2-9H,1H3
InChIKeyTVCFQHCDXVHJQI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.52
Rot. Bonds2

About 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 82389030) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID82389030
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2nc3ccc(C=O)cn3n2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(7-10)14-15-13-6-5-11(9-18)8-17(13)16-14/h2-9H,1H3
InChIKeyTVCFQHCDXVHJQI-UHFFFAOYSA-N
XLogP2.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde 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

7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965839
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130193
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965837
6-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83964997
3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566326
2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130740
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 82389030) is 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1cccc(-c2nc3ccc(C=O)cn3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is TVCFQHCDXVHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-3-2-4-12(7-10)14-15-13-6-5-11(9-18)8-17(13)16-14/h2-9H,1H3.
What are the key properties of 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 82389030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).