5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

C16H27N3O — CID 53353778

IUPAC5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C16H27N3O/c1-15(2)8-13(9-16(3,4)11-15)19-14(20)7-12(10-17-19)18(5)6/h7,10,13H,8-9,11H2,1-6H3
InChIKeyRRGCPYXJKNQKLO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds2

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

5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 53353778) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID53353778
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C16H27N3O/c1-15(2)8-13(9-16(3,4)11-15)19-14(20)7-12(10-17-19)18(5)6/h7,10,13H,8-9,11H2,1-6H3
InChIKeyRRGCPYXJKNQKLO-UHFFFAOYSA-N
XLogP3.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 53353778) is 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is RRGCPYXJKNQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2)8-13(9-16(3,4)11-15)19-14(20)7-12(10-17-19)18(5)6/h7,10,13H,8-9,11H2,1-6H3.
What are the key properties of 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 277.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 53353778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).