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

C14H18N4O — CID 117131247

IUPAC2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESCCN1CCC(c2nc3cccc(C=O)n3n2)CC1
InChIInChI=1S/C14H18N4O/c1-2-17-8-6-11(7-9-17)14-15-13-5-3-4-12(10-19)18(13)16-14/h3-5,10-11H,2,6-9H2,1H3
InChIKeyCTWUYQDAEPNPMI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds3

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

2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117131247) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117131247
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESCCN1CCC(c2nc3cccc(C=O)n3n2)CC1
InChIInChI=1S/C14H18N4O/c1-2-17-8-6-11(7-9-17)14-15-13-5-3-4-12(10-19)18(13)16-14/h3-5,10-11H,2,6-9H2,1H3
InChIKeyCTWUYQDAEPNPMI-UHFFFAOYSA-N
XLogP1.74
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (CID 117131247) is 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is CCN1CCC(c2nc3cccc(C=O)n3n2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is CTWUYQDAEPNPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-17-8-6-11(7-9-17)14-15-13-5-3-4-12(10-19)18(13)16-14/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117131247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).