2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

C13H19N3O2 — CID 121066841

IUPAC2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCCCC2C)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-3-16-12(17)8-7-11(14-16)13(18)15-9-5-4-6-10(15)2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHKVWGGPXVAHDNN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds2

About 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 121066841) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID121066841
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCCCC2C)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-3-16-12(17)8-7-11(14-16)13(18)15-9-5-4-6-10(15)2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHKVWGGPXVAHDNN-UHFFFAOYSA-N
XLogP1.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 97059361
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
CID 134043793
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 121066841) is 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is CCn1nc(C(=O)N2CCCCC2C)ccc1=O.
What is the InChIKey of 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is HKVWGGPXVAHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16-12(17)8-7-11(14-16)13(18)15-9-5-4-6-10(15)2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 121066841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).