2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C12H9N3O2 — CID 117130193

IUPAC2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1ccc(-c2nc3ccc(C=O)cn3n2)o1
InChIInChI=1S/C12H9N3O2/c1-8-2-4-10(17-8)12-13-11-5-3-9(7-16)6-15(11)14-12/h2-7H,1H3
InChIKeyUXEPCJMUMLIORB-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.11
Rot. Bonds2

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

2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117130193) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117130193
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1ccc(-c2nc3ccc(C=O)cn3n2)o1
InChIInChI=1S/C12H9N3O2/c1-8-2-4-10(17-8)12-13-11-5-3-9(7-16)6-15(11)14-12/h2-7H,1H3
InChIKeyUXEPCJMUMLIORB-UHFFFAOYSA-N
XLogP2.11
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-methylfuran-2-yl)-[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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 117130193) is 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1ccc(-c2nc3ccc(C=O)cn3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is UXEPCJMUMLIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-2-4-10(17-8)12-13-11-5-3-9(7-16)6-15(11)14-12/h2-7H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 227.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).