3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C14H18N4O2 — CID 117147556

IUPAC3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCCN1CCCCC1c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C14H18N4O2/c1-2-17-8-4-3-7-11(17)13-16-15-12-10(14(19)20)6-5-9-18(12)13/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyRJPQVUFITKZRMG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds3

About 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147556) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117147556
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCCN1CCCCC1c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C14H18N4O2/c1-2-17-8-4-3-7-11(17)13-16-15-12-10(14(19)20)6-5-9-18(12)13/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyRJPQVUFITKZRMG-UHFFFAOYSA-N
XLogP1.97
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147556) is 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CCN1CCCCC1c1nnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is RJPQVUFITKZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-17-8-4-3-7-11(17)13-16-15-12-10(14(19)20)6-5-9-18(12)13/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).