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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Related Compounds

2-tert-butyl-4,5-dimethylpyridazin-3-one
CID 58336945
2-(2-methylbutan-2-yl)-4H-1,2,4-triazol-3-one
CID 136641690
2-(1-amino-2-methylpropan-2-yl)-5-methylpyridazin-3-one
CID 106548285
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
CID 59177878
1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
CID 176710911
4-[2-(4,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine
CID 118288835
4,10-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
CID 13405298
4,5-dimethyl-2-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]pyridazin-3-one
CID 126547638
1-tert-butyl-4-ethylpyrazol-5-amine
CID 68938283
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
2-methyl-2-(5-methylpyrazol-1-yl)propan-1-amine
CID 84731299

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).