2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

C13H16N4O2 — CID 117135596

IUPAC2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(CCN3CCOCC3)nc2c1
InChIInChI=1S/C13H16N4O2/c18-10-11-1-4-17-13(9-11)14-12(15-17)2-3-16-5-7-19-8-6-16/h1,4,9-10H,2-3,5-8H2
InChIKeyGDLJACCDTKWAPU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 117135596) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
PubChem CID117135596
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(CCN3CCOCC3)nc2c1
InChIInChI=1S/C13H16N4O2/c18-10-11-1-4-17-13(9-11)14-12(15-17)2-3-16-5-7-19-8-6-16/h1,4,9-10H,2-3,5-8H2
InChIKeyGDLJACCDTKWAPU-UHFFFAOYSA-N
XLogP0.42
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003600
2-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133751
7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117135584
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
CID 66408586
4-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)morpholine
CID 117257528
2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133495
1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
CID 96605707

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (CID 117135596) is 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is O=Cc1ccn2nc(CCN3CCOCC3)nc2c1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is GDLJACCDTKWAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-10-11-1-4-17-13(9-11)14-12(15-17)2-3-16-5-7-19-8-6-16/h1,4,9-10H,2-3,5-8H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 260.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117135596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).