3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine

C20H26N6O2 — CID 56668932

IUPAC3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOc1nnc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccn12
InChIInChI=1S/C20H26N6O2/c1-3-27-20-24-23-19-14-17(8-12-26(19)20)28-13-9-16-6-10-25(11-7-16)18-5-4-15(2)21-22-18/h4-5,8,12,14,16H,3,6-7,9-11,13H2,1-2H3
InChIKeyGDUKGJSJITWBSJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.91
Rot. Bonds7

About 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine

3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 56668932) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID56668932
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOc1nnc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccn12
InChIInChI=1S/C20H26N6O2/c1-3-27-20-24-23-19-14-17(8-12-26(19)20)28-13-9-16-6-10-25(11-7-16)18-5-4-15(2)21-22-18/h4-5,8,12,14,16H,3,6-7,9-11,13H2,1-2H3
InChIKeyGDUKGJSJITWBSJ-UHFFFAOYSA-N
XLogP2.91
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
CID 46947912
2-Ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[1,5-a]pyridine
CID 56658565
2-[2-(7-Methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72709965
3-(6-Methyl-3-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162659890
3-(6-Methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162666394
2-[4-[5-(2,4-dimethoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 172435756
N-benzyl-3-(4-methoxy-2-pyridinyl)-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134805291
3-(4-methoxy-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134805644
(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine
CID 134808031
3-(4-methoxy-2-pyridinyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134810995
N'-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 134811040
N,N-dimethyl-3-(4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)pyridin-3-yl)prop-2-yn-1-amine
CID 57691024

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 56668932) is 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine is CCOc1nnc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccn12.
What is the InChIKey of 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GDUKGJSJITWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-27-20-24-23-19-14-17(8-12-26(19)20)28-13-9-16-6-10-25(11-7-16)18-5-4-15(2)21-22-18/h4-5,8,12,14,16H,3,6-7,9-11,13H2,1-2H3.
What are the key properties of 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine?
3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 382.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 56668932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).