3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C14H20N4O — CID 117140421

IUPAC3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(c2nnc3cccc(OC)n23)CC1
InChIInChI=1S/C14H20N4O/c1-3-17-9-7-11(8-10-17)14-16-15-12-5-4-6-13(19-2)18(12)14/h4-6,11H,3,7-10H2,1-2H3
InChIKeyGJUYDYCNBDKTBG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140421) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117140421
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(c2nnc3cccc(OC)n23)CC1
InChIInChI=1S/C14H20N4O/c1-3-17-9-7-11(8-10-17)14-16-15-12-5-4-6-13(19-2)18(12)14/h4-6,11H,3,7-10H2,1-2H3
InChIKeyGJUYDYCNBDKTBG-UHFFFAOYSA-N
XLogP1.94
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140658
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
2-[(1-ethylpiperidin-4-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131475
5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83900543
3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
CID 83866670
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
3-(1-ethylpyrrolidin-3-yl)-6-methoxypyridazine
CID 117105120
1-chloro-3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-5-ol
CID 117250398
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 72925234
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126911694

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117140421) is 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC(c2nnc3cccc(OC)n23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GJUYDYCNBDKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-17-9-7-11(8-10-17)14-16-15-12-5-4-6-13(19-2)18(12)14/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).