4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one

C11H12Cl2N2O2 — CID 11357832

IUPAC4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one
SMILESO=C(C1CCCCC1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H12Cl2N2O2/c12-8-6-14-15(11(17)9(8)13)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyBFLYZVZTOVFTJS-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.77
Rot. Bonds1

About 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one

4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one (PubChem CID 11357832) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one
PubChem CID11357832
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one
SMILESO=C(C1CCCCC1)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H12Cl2N2O2/c12-8-6-14-15(11(17)9(8)13)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyBFLYZVZTOVFTJS-UHFFFAOYSA-N
XLogP2.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-(cyclohexanecarbonyl)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-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one (CID 11357832) is 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one is O=C(C1CCCCC1)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one?
The InChIKey is BFLYZVZTOVFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-8-6-14-15(11(17)9(8)13)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one?
4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one has a molecular weight of 275.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one is sourced from PubChem (CID 11357832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).