4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

C15H24ClN3O — CID 53353683

IUPAC4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
InChIKeyHJNDHOPNLQLLID-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.72
Rot. Bonds2

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

4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 53353683) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID53353683
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3
InChIKeyHJNDHOPNLQLLID-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 53353683) is 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is HJNDHOPNLQLLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-14(2)6-10(7-15(3,4)9-14)19-13(20)12(16)11(17-5)8-18-19/h8,10,17H,6-7,9H2,1-5H3.
What are the key properties of 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 53353683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).