3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C15H24N4O2 — CID 117147920

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCN1CCCC(Cc2nnc3n2CC(C(=O)O)CC3)C1
InChIInChI=1S/C15H24N4O2/c1-2-18-7-3-4-11(9-18)8-14-17-16-13-6-5-12(15(20)21)10-19(13)14/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyCMWXFENLRSCDPW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds4

About 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 117147920) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID117147920
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCN1CCCC(Cc2nnc3n2CC(C(=O)O)CC3)C1
InChIInChI=1S/C15H24N4O2/c1-2-18-7-3-4-11(9-18)8-14-17-16-13-6-5-12(15(20)21)10-19(13)14/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyCMWXFENLRSCDPW-UHFFFAOYSA-N
XLogP1.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147918
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147909
3-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148380
3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150179
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147897
3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142712
3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494564
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149361
[3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
CID 117148104
3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148730
3-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 103167701
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 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 117147920) is 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CCN1CCCC(Cc2nnc3n2CC(C(=O)O)CC3)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is CMWXFENLRSCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-18-7-3-4-11(9-18)8-14-17-16-13-6-5-12(15(20)21)10-19(13)14/h11-12H,2-10H2,1H3,(H,20,21).
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).