5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

C18H32N4O — CID 67363759

IUPAC5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C18H32N4O/c1-17(2)10-15(11-18(3,4)13-17)22-16(23)9-14(12-20-22)19-7-8-21(5)6/h9,12,15,19H,7-8,10-11,13H2,1-6H3
InChIKeyOAGWUJQGACNZKT-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.99
Rot. Bonds5

About 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 67363759) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID67363759
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C18H32N4O/c1-17(2)10-15(11-18(3,4)13-17)22-16(23)9-14(12-20-22)19-7-8-21(5)6/h9,12,15,19H,7-8,10-11,13H2,1-6H3
InChIKeyOAGWUJQGACNZKT-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(dimethylamino)ethylamino]-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 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 67363759) is 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is OAGWUJQGACNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-17(2)10-15(11-18(3,4)13-17)22-16(23)9-14(12-20-22)19-7-8-21(5)6/h9,12,15,19H,7-8,10-11,13H2,1-6H3.
What are the key properties of 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 320.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 67363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).