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

C11H12N4O2 — CID 117140176

IUPAC3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C3CCCN3)n2c1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-3-4-9-13-14-10(15(9)6-7)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,16,17)
InChIKeyGHKFUCJMEPYIQF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds2

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

3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 117140176) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID117140176
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C3CCCN3)n2c1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-3-4-9-13-14-10(15(9)6-7)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,16,17)
InChIKeyGHKFUCJMEPYIQF-UHFFFAOYSA-N
XLogP0.85
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140198
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140078
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 106894162
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 134069671
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143547

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 117140176) is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C3CCCN3)n2c1.
What is the InChIKey of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is GHKFUCJMEPYIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)7-3-4-9-13-14-10(15(9)6-7)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,16,17).
What are the key properties of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).