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

Analyze 6-(2-ethylpiperidine-1-carbonyl)-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).