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

C12H14N4O2 — CID 117140198

IUPAC3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C3CCCCN3)n2c1
InChIInChI=1S/C12H14N4O2/c17-12(18)8-4-5-10-14-15-11(16(10)7-8)9-3-1-2-6-13-9/h4-5,7,9,13H,1-3,6H2,(H,17,18)
InChIKeyROGJYFWXRQXJKT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.24
Rot. Bonds2

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

3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 117140198) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID117140198
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C3CCCCN3)n2c1
InChIInChI=1S/C12H14N4O2/c17-12(18)8-4-5-10-14-15-11(16(10)7-8)9-3-1-2-6-13-9/h4-5,7,9,13H,1-3,6H2,(H,17,18)
InChIKeyROGJYFWXRQXJKT-UHFFFAOYSA-N
XLogP1.24
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140176
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140078
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
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
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
3-(2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 106894162
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 117140198) is 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C3CCCCN3)n2c1.
What is the InChIKey of 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is ROGJYFWXRQXJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)8-4-5-10-14-15-11(16(10)7-8)9-3-1-2-6-13-9/h4-5,7,9,13H,1-3,6H2,(H,17,18).
What are the key properties of 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).