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

C14H20Cl2N2O — CID 53353682

IUPAC4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCC1(C)CC(n2ncc(Cl)c(Cl)c2=O)CC(C)(C)C1
InChIInChI=1S/C14H20Cl2N2O/c1-13(2)5-9(6-14(3,4)8-13)18-12(19)11(16)10(15)7-17-18/h7,9H,5-6,8H2,1-4H3
InChIKeyDFIVWRVLJYNACC-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.33
Rot. Bonds1

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

4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 53353682) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID53353682
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCC1(C)CC(n2ncc(Cl)c(Cl)c2=O)CC(C)(C)C1
InChIInChI=1S/C14H20Cl2N2O/c1-13(2)5-9(6-14(3,4)8-13)18-12(19)11(16)10(15)7-17-18/h7,9H,5-6,8H2,1-4H3
InChIKeyDFIVWRVLJYNACC-UHFFFAOYSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)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-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 53353682) is 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CC1(C)CC(n2ncc(Cl)c(Cl)c2=O)CC(C)(C)C1.
What is the InChIKey of 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is DFIVWRVLJYNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-13(2)5-9(6-14(3,4)8-13)18-12(19)11(16)10(15)7-17-18/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 303.23 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 53353682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).