4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one

C13H24N2O — CID 59908900

IUPAC4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one
SMILESCN1NCC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h14H,8H2,1-7H3
InChIKeyQQJWSCASDHZGRJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.35
Rot. Bonds

About 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one

4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one (PubChem CID 59908900) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one
PubChem CID59908900
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one
SMILESCN1NCC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h14H,8H2,1-7H3
InChIKeyQQJWSCASDHZGRJ-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Ditert-butyl-1,2-dimethylpyridazine-3,6-dione
CID 20871956
2-Butyl-4,5-ditert-butyl-1,3-dihydropyridazin-6-one
CID 20871985
2-butyl-4,5-ditert-butyl-1H-pyridazine-3,6-dione
CID 20871986
2-butyl-4,5-ditert-butyl-1H-pyrazol-3-one
CID 20872021
4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
CID 23402512
4,5-Ditert-butyl-2-methyl-1,3-dihydropyridazin-6-one
CID 23402545
4,5-Ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one
CID 23552367
4,5-ditert-butyl-2-propyl-1H-pyridazine-3,6-dione
CID 23552368
4,5-ditert-butyl-1-methyl-2-propyl-3H-pyridazin-6-one
CID 23552379
4,5-ditert-butyl-2-methyl-1H-pyridazine-3,6-dione
CID 23592090
4,5-ditert-butyl-2-methyl-1H-pyrazol-3-one
CID 23592097
4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione
CID 23600270

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one?
The IUPAC name of 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one (CID 59908900) is 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one.
What is the SMILES notation for 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one?
The canonical SMILES for 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one is CN1NCC(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one?
The InChIKey is QQJWSCASDHZGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h14H,8H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one?
4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one has a molecular weight of 224.35 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-methyl-1,6-dihydropyridazin-3-one is sourced from PubChem (CID 59908900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).