1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one

C13H17N3O2 — CID 104670555

IUPAC1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one
SMILESCCc1nnc(C)cc1C(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-3-12-11(7-9(2)14-15-12)13(18)16-6-4-5-10(17)8-16/h7H,3-6,8H2,1-2H3
InChIKeyCAXWWPNJEFVTPS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one

1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one (PubChem CID 104670555) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one
PubChem CID104670555
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one
SMILESCCc1nnc(C)cc1C(=O)N1CCCC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-3-12-11(7-9(2)14-15-12)13(18)16-6-4-5-10(17)8-16/h7H,3-6,8H2,1-2H3
InChIKeyCAXWWPNJEFVTPS-UHFFFAOYSA-N
XLogP1.15
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one?
The IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one (CID 104670555) is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one is CCc1nnc(C)cc1C(=O)N1CCCC(=O)C1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one?
The InChIKey is CAXWWPNJEFVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12-11(7-9(2)14-15-12)13(18)16-6-4-5-10(17)8-16/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one?
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one has a molecular weight of 247.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidin-3-one is sourced from PubChem (CID 104670555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).