2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

C12H8N4O — CID 115004022

IUPAC2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(-c3cccnc3)nn12
InChIInChI=1S/C12H8N4O/c17-8-10-4-1-5-11-14-12(15-16(10)11)9-3-2-6-13-7-9/h1-8H
InChIKeyDKELSQOFHOXZHD-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.60
Rot. Bonds2

About 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 115004022) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID115004022
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(-c3cccnc3)nn12
InChIInChI=1S/C12H8N4O/c17-8-10-4-1-5-11-14-12(15-16(10)11)9-3-2-6-13-7-9/h1-8H
InChIKeyDKELSQOFHOXZHD-UHFFFAOYSA-N
XLogP1.60
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.60
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

5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004120
6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566488
2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
CID 139599968
6-bromo-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83965227
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
2,6-dipyridin-3-ylpyridine
CID 13349632
cyclopenta[c]azepine
CID 638010
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
6-bromo-8-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83965369

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (CID 115004022) is 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2nc(-c3cccnc3)nn12.
What is the InChIKey of 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is DKELSQOFHOXZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c17-8-10-4-1-5-11-14-12(15-16(10)11)9-3-2-6-13-7-9/h1-8H.
What are the key properties of 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 224.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 115004022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).