3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C11H11N3O2 — CID 117138448

IUPAC3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(C3CCOC3)n2c1
InChIInChI=1S/C11H11N3O2/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h1-2,5-6,9H,3-4,7H2
InChIKeyIVPXVKAWHVINRM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.05
Rot. Bonds2

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

3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 117138448) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID117138448
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(C3CCOC3)n2c1
InChIInChI=1S/C11H11N3O2/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h1-2,5-6,9H,3-4,7H2
InChIKeyIVPXVKAWHVINRM-UHFFFAOYSA-N
XLogP1.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.05
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

3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138470
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138544
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 117138448) is 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is O=Cc1ccc2nnc(C3CCOC3)n2c1.
What is the InChIKey of 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is IVPXVKAWHVINRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-6-8-1-2-10-12-13-11(14(10)5-8)9-3-4-16-7-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 217.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).