2-ethyl-6-piperidin-1-ylpyridazin-3-one

C11H17N3O — CID 167253237

IUPAC2-ethyl-6-piperidin-1-ylpyridazin-3-one
SMILESCCn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C11H17N3O/c1-2-14-11(15)7-6-10(12-14)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3
InChIKeyJAFSUWPUDFLQSR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds2

About 2-ethyl-6-piperidin-1-ylpyridazin-3-one

2-ethyl-6-piperidin-1-ylpyridazin-3-one (PubChem CID 167253237) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-ethyl-6-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-piperidin-1-ylpyridazin-3-one
PubChem CID167253237
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-ethyl-6-piperidin-1-ylpyridazin-3-one
SMILESCCn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C11H17N3O/c1-2-14-11(15)7-6-10(12-14)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3
InChIKeyJAFSUWPUDFLQSR-UHFFFAOYSA-N
XLogP1.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
Methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate
CID 59144402
2-Methyl-6-piperidin-1-ylpyridazin-3-one
CID 69406970
6-(4-Methoxypiperidin-1-yl)-2-methylpyridazin-3-one
CID 130348712
N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 155021012
6-(Azepan-1-yl)-2-ethylpyridazin-3-one
CID 156423764
6-(4-Methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 156423778
2-(6-Oxo-3-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 156423802
6-Piperidin-1-yl-2-prop-2-enylpyridazin-3-one
CID 156423933
2-Ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one
CID 167252693
2-Ethyl-6-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 167253866
6-(7-Azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
CID 167254254

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-ethyl-6-piperidin-1-ylpyridazin-3-one (CID 167253237) is 2-ethyl-6-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-ethyl-6-piperidin-1-ylpyridazin-3-one is CCn1nc(N2CCCCC2)ccc1=O.
What is the InChIKey of 2-ethyl-6-piperidin-1-ylpyridazin-3-one?
The InChIKey is JAFSUWPUDFLQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-11(15)7-6-10(12-14)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-ethyl-6-piperidin-1-ylpyridazin-3-one?
2-ethyl-6-piperidin-1-ylpyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 167253237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).