6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one

C12H19N3O2 — CID 10037168

IUPAC6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCOc1nn(C)c(=O)cc1N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-10(9-11(16)14(2)13-12)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3
InChIKeyJSABQCLURYVVGL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds3

About 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one

6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 10037168) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID10037168
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCOc1nn(C)c(=O)cc1N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-10(9-11(16)14(2)13-12)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3
InChIKeyJSABQCLURYVVGL-UHFFFAOYSA-N
XLogP1.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-butoxy-4-morpholin-4-yl-1H-pyridazin-6-one
CID 163451616
6-Methoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 9991237
5-Morpholin-4-yl-2-pentyl-6-propoxypyridazin-3-one
CID 9995485
2-Methyl-5-morpholin-4-yl-6-octoxypyridazin-3-one
CID 9996316
2-Methyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10015131
6-Butoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 10039368
5-Morpholin-4-yl-6-propoxy-2-propylpyridazin-3-one
CID 10039369
6-Butoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 10061409
6-Butoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 10061509
2-Cyclohexyl-6-ethoxy-5-morpholin-4-ylpyridazin-3-one
CID 10063825
6-Ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10082326
6-Butoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 10083526

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 10037168) is 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one is CCOc1nn(C)c(=O)cc1N1CCCCC1.
What is the InChIKey of 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is JSABQCLURYVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12-10(9-11(16)14(2)13-12)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3.
What are the key properties of 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 10037168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).