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

C14H22N2O — CID 118413847

IUPAC2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCC1(C)CC(n2ncccc2=O)CC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-13(2)8-11(9-14(3,4)10-13)16-12(17)6-5-7-15-16/h5-7,11H,8-10H2,1-4H3
InChIKeyCQIAXXWACDCMGX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds1

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

2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 118413847) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID118413847
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCC1(C)CC(n2ncccc2=O)CC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-13(2)8-11(9-14(3,4)10-13)16-12(17)6-5-7-15-16/h5-7,11H,8-10H2,1-4H3
InChIKeyCQIAXXWACDCMGX-UHFFFAOYSA-N
XLogP3.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 118413847) is 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CC1(C)CC(n2ncccc2=O)CC(C)(C)C1.
What is the InChIKey of 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is CQIAXXWACDCMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(2)8-11(9-14(3,4)10-13)16-12(17)6-5-7-15-16/h5-7,11H,8-10H2,1-4H3.
What are the key properties of 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 118413847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).