6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one

C13H21N3O — CID 167254262

IUPAC6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCC(C)(C)CC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-4-16-12(17)6-5-11(14-16)15-9-7-13(2,3)8-10-15/h5-6H,4,7-10H2,1-3H3
InChIKeyAAJWQMXMOAYLHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds2

About 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one

6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one (PubChem CID 167254262) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one
PubChem CID167254262
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCC(C)(C)CC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-4-16-12(17)6-5-11(14-16)15-9-7-13(2,3)8-10-15/h5-6H,4,7-10H2,1-3H3
InChIKeyAAJWQMXMOAYLHY-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-piperidin-1-ylpyridazin-3-one
CID 69406970
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 90708660
6-(4-Methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 156423778
6-Piperidin-1-yl-2-prop-2-enylpyridazin-3-one
CID 156423933
3-(4,4-dimethylpiperidin-1-yl)-1-ethyl-4H-diazepin-7-one
CID 156423972
2-[3-(4-Methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetaldehyde
CID 156424062
2-Ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one
CID 167252693
2-[3-(4,4-Dimethylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetaldehyde
CID 167253205
2-Ethyl-6-piperidin-1-ylpyridazin-3-one
CID 167253237
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
2-(Cyclohexylmethyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857376

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one (CID 167254262) is 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one is CCn1nc(N2CCC(C)(C)CC2)ccc1=O.
What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one?
The InChIKey is AAJWQMXMOAYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-12(17)6-5-11(14-16)15-9-7-13(2,3)8-10-15/h5-6H,4,7-10H2,1-3H3.
What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one?
6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 167254262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).