[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C7H5N3O — CID 82417711

IUPAC[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nncn2c1
InChIInChI=1S/C7H5N3O/c11-4-6-1-2-7-9-8-5-10(7)3-6/h1-5H
InChIKeyXVILBWOMQAUNBM-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.54
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 82417711) 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-6-carbaldehyde.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID82417711
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nncn2c1
InChIInChI=1S/C7H5N3O/c11-4-6-1-2-7-9-8-5-10(7)3-6/h1-5H
InChIKeyXVILBWOMQAUNBM-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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Related Compounds

6-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 69371559
2-[(E)-2-(4-formylphenyl)ethenyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 10754921
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
benzene;terephthalaldehyde
CID 163498156
2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 84739483
5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 169206219
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 82417711) is [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is O=Cc1ccc2nncn2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is XVILBWOMQAUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-4-6-1-2-7-9-8-5-10(7)3-6/h1-5H.
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
[1,2,4]triazolo[4,3-a]pyridine-6-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-6-carbaldehyde is sourced from PubChem (CID 82417711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).