6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one

C12H18N2O2 — CID 121013863

IUPAC6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one
SMILESCCCCC(C(C)=O)n1nc(C)ccc1=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-11(10(3)15)14-12(16)8-7-9(2)13-14/h7-8,11H,4-6H2,1-3H3
InChIKeyJRGAZZHUUVNMJW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.87
Rot. Bonds5

About 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one

6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one (PubChem CID 121013863) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one
PubChem CID121013863
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one
SMILESCCCCC(C(C)=O)n1nc(C)ccc1=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-11(10(3)15)14-12(16)8-7-9(2)13-14/h7-8,11H,4-6H2,1-3H3
InChIKeyJRGAZZHUUVNMJW-UHFFFAOYSA-N
XLogP1.87
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-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-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one (CID 121013863) is 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one is CCCCC(C(C)=O)n1nc(C)ccc1=O.
What is the InChIKey of 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one?
The InChIKey is JRGAZZHUUVNMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-5-6-11(10(3)15)14-12(16)8-7-9(2)13-14/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one?
6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-oxoheptan-3-yl)pyridazin-3-one is sourced from PubChem (CID 121013863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).