2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde

C11H11N3O — CID 83880900

IUPAC2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
SMILESO=CCc1cccn2nc(C3CC3)nc12
InChIInChI=1S/C11H11N3O/c15-7-5-9-2-1-6-14-11(9)12-10(13-14)8-3-4-8/h1-2,6-8H,3-5H2
InChIKeyBNSYHXFHPUEQTQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.35
Rot. Bonds3

About 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde

2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde (PubChem CID 83880900) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
PubChem CID83880900
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
SMILESO=CCc1cccn2nc(C3CC3)nc12
InChIInChI=1S/C11H11N3O/c15-7-5-9-2-1-6-14-11(9)12-10(13-14)8-3-4-8/h1-2,6-8H,3-5H2
InChIKeyBNSYHXFHPUEQTQ-UHFFFAOYSA-N
XLogP1.35
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde (CID 83880900) is 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde is O=CCc1cccn2nc(C3CC3)nc12.
What is the InChIKey of 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde?
The InChIKey is BNSYHXFHPUEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-7-5-9-2-1-6-14-11(9)12-10(13-14)8-3-4-8/h1-2,6-8H,3-5H2.
What are the key properties of 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde?
2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde is sourced from PubChem (CID 83880900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).