6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one

C13H19N3O2 — CID 42909956

IUPAC6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H19N3O2/c1-3-10-6-4-5-9-16(10)13(18)11-7-8-12(17)15(2)14-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMQFZZRUNNFVAMS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds2

About 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one

6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 42909956) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID42909956
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H19N3O2/c1-3-10-6-4-5-9-16(10)13(18)11-7-8-12(17)15(2)14-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMQFZZRUNNFVAMS-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2574206
3-(2-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 4369642
6-(3,5-Dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 42910131
N-cyclopentyl-N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 52218181
N-cyclohexyl-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443192
N-cyclohexyl-N-methyl-2-(3-methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 49704619
N,1-dimethyl-N-(2-methylcyclohexyl)-6-oxopyridazine-3-carboxamide
CID 45873658
N-cyclohexyl-N-cyclopropyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 71942609
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-ethylpyridazin-3-one
CID 132360437
2-ethyl-6-[(2S)-2-(trifluoromethyl)azepane-1-carbonyl]pyridazin-3-one
CID 164630542
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
2-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71967602

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one (CID 42909956) is 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one is CCC1CCCCN1C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is MQFZZRUNNFVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-6-4-5-9-16(10)13(18)11-7-8-12(17)15(2)14-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 42909956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).