2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C12H9N3OS — CID 115003847

IUPAC2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccs3)nn2c1
InChIInChI=1S/C12H9N3OS/c16-8-9-3-4-12-13-11(14-15(12)7-9)6-10-2-1-5-17-10/h1-5,7-8H,6H2
InChIKeyIRBKUXOQMKMCKD-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.19
Rot. Bonds3

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

2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 115003847) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID115003847
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3cccs3)nn2c1
InChIInChI=1S/C12H9N3OS/c16-8-9-3-4-12-13-11(14-15(12)7-9)6-10-2-1-5-17-10/h1-5,7-8H,6H2
InChIKeyIRBKUXOQMKMCKD-UHFFFAOYSA-N
XLogP2.19
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130450
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 115003848
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 5303940
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130193
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 82389030
benzene;terephthalaldehyde
CID 163498156
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
CID 106716533
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 115003847) is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(Cc3cccs3)nn2c1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is IRBKUXOQMKMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-8-9-3-4-12-13-11(14-15(12)7-9)6-10-2-1-5-17-10/h1-5,7-8H,6H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 115003847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).