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

C7H5N3O2 — CID 44558558

IUPAC[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nncn2c1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4H,(H,11,12)
InChIKeyGWQOULMRAFJVRD-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.43
Rot. Bonds1

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

[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 44558558) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID44558558
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nncn2c1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4H,(H,11,12)
InChIKeyGWQOULMRAFJVRD-UHFFFAOYSA-N
XLogP0.43
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 44558558) is [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nncn2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is GWQOULMRAFJVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4H,(H,11,12).
What are the key properties of [1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 44558558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).