4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one

C11H18N2O — CID 143094984

IUPAC4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one
SMILESCCC(C)(C)n1ncc(C)c(C)c1=O
InChIInChI=1S/C11H18N2O/c1-6-11(4,5)13-10(14)9(3)8(2)7-12-13/h7H,6H2,1-5H3
InChIKeyCNNJOTUEWBLROW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds2

About 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one

4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one (PubChem CID 143094984) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one
PubChem CID143094984
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one
SMILESCCC(C)(C)n1ncc(C)c(C)c1=O
InChIInChI=1S/C11H18N2O/c1-6-11(4,5)13-10(14)9(3)8(2)7-12-13/h7H,6H2,1-5H3
InChIKeyCNNJOTUEWBLROW-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The IUPAC name of 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one (CID 143094984) is 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one is CCC(C)(C)n1ncc(C)c(C)c1=O.
What is the InChIKey of 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The InChIKey is CNNJOTUEWBLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-11(4,5)13-10(14)9(3)8(2)7-12-13/h7H,6H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylbutan-2-yl)pyridazin-3-one is sourced from PubChem (CID 143094984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).