2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C14H22N4O2 — CID 117157202

IUPAC2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCCN1CCCCC1c1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C14H22N4O2/c1-2-17-8-4-3-7-11(17)12-15-13-10(14(19)20)6-5-9-18(13)16-12/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyXJXHYKJKCPWDSY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.79
Rot. Bonds3

About 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117157202) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117157202
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCCN1CCCCC1c1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C14H22N4O2/c1-2-17-8-4-3-7-11(17)12-15-13-10(14(19)20)6-5-9-18(13)16-12/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyXJXHYKJKCPWDSY-UHFFFAOYSA-N
XLogP1.79
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157199
2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567782
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157161
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
2-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157212
2-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117134274
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
CID 115077951
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 117157242

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117157202) is 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CCN1CCCCC1c1nc2n(n1)CCCC2C(=O)O.
What is the InChIKey of 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is XJXHYKJKCPWDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-17-8-4-3-7-11(17)12-15-13-10(14(19)20)6-5-9-18(13)16-12/h10-11H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117157202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).