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

C15H25N3O — CID 53353686

IUPAC5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C15H25N3O/c1-14(2)7-12(8-15(3,4)10-14)18-13(19)6-11(16-5)9-17-18/h6,9,12,16H,7-8,10H2,1-5H3
InChIKeyRUTICLNESJNANB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.06
Rot. Bonds2

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

5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 53353686) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID53353686
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C15H25N3O/c1-14(2)7-12(8-15(3,4)10-14)18-13(19)6-11(16-5)9-17-18/h6,9,12,16H,7-8,10H2,1-5H3
InChIKeyRUTICLNESJNANB-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 53353686) is 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is RUTICLNESJNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(2)7-12(8-15(3,4)10-14)18-13(19)6-11(16-5)9-17-18/h6,9,12,16H,7-8,10H2,1-5H3.
What are the key properties of 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 263.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 53353686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).