6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one

C12H19N3O2 — CID 105061827

IUPAC6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCC2CCCNC2)n1
InChIInChI=1S/C12H19N3O2/c1-17-11-4-5-12(16)15(14-11)8-6-10-3-2-7-13-9-10/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyXSRLXJPTKSRSCS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds4

About 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one

6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one (PubChem CID 105061827) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
PubChem CID105061827
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCC2CCCNC2)n1
InChIInChI=1S/C12H19N3O2/c1-17-11-4-5-12(16)15(14-11)8-6-10-3-2-7-13-9-10/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyXSRLXJPTKSRSCS-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 62922662
2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
CID 130530939
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
1-(2-piperidin-3-ylethyl)cinnolin-4-one
CID 62356873
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
3-methoxy-6-(piperidin-3-ylmethoxymethyl)pyridazine
CID 114268734
2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
CID 68895820
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765
4-[2-(3-methoxy-6-oxopyridazin-1-yl)ethoxy]benzonitrile
CID 105061774
2,4-dimethyl-6-(piperidin-3-ylmethoxy)-1,2,4-triazine-3,5-dione
CID 62348744

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one (CID 105061827) is 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one is COc1ccc(=O)n(CCC2CCCNC2)n1.
What is the InChIKey of 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one?
The InChIKey is XSRLXJPTKSRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-11-4-5-12(16)15(14-11)8-6-10-3-2-7-13-9-10/h4-5,10,13H,2-3,6-9H2,1H3.
What are the key properties of 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one?
6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one is sourced from PubChem (CID 105061827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).