[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

C7H5N3O — CID 82417710

IUPAC[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cnnc12
InChIInChI=1S/C7H5N3O/c11-4-6-2-1-3-10-5-8-9-7(6)10/h1-5H
InChIKeyWQNXFPSMMYMLGF-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.54
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (PubChem CID 82417710) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
PubChem CID82417710
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2cnnc12
InChIInChI=1S/C7H5N3O/c11-4-6-2-1-3-10-5-8-9-7(6)10/h1-5H
InChIKeyWQNXFPSMMYMLGF-UHFFFAOYSA-N
XLogP0.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.54
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 [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (CID 82417710) is [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is O=Cc1cccn2cnnc12.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The InChIKey is WQNXFPSMMYMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-4-6-2-1-3-10-5-8-9-7(6)10/h1-5H.
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 82417710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).