4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one

C11H16N2O2 — CID 123720595

IUPAC4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1cnn(C2CCCCO2)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-8-7-12-13(11(14)9(8)2)10-5-3-4-6-15-10/h7,10H,3-6H2,1-2H3
InChIKeyXCDLHSNVDFLRNC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.56
Rot. Bonds1

About 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one

4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 123720595) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one
PubChem CID123720595
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1cnn(C2CCCCO2)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-8-7-12-13(11(14)9(8)2)10-5-3-4-6-15-10/h7,10H,3-6H2,1-2H3
InChIKeyXCDLHSNVDFLRNC-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-(oxan-2-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 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one (CID 123720595) is 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one is Cc1cnn(C2CCCCO2)c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is XCDLHSNVDFLRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-12-13(11(14)9(8)2)10-5-3-4-6-15-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one?
4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 123720595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).