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

C17H32N2O — CID 20871968

IUPAC2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one
SMILESCCCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C17H32N2O/c1-9-10-11-19-12-13(16(2,3)4)14(17(5,6)7)15(20)18(19)8/h9-12H2,1-8H3
InChIKeyFDLUSLGDFSRMRP-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.86
Rot. Bonds3

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

2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one (PubChem CID 20871968) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one.

Molecular Properties

Compound Name2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one
PubChem CID20871968
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one
SMILESCCCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C17H32N2O/c1-9-10-11-19-12-13(16(2,3)4)14(17(5,6)7)15(20)18(19)8/h9-12H2,1-8H3
InChIKeyFDLUSLGDFSRMRP-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
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
4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
CID 23402512
1-Butyl-4,5-ditert-butyl-2-methylpyridazine-3,6-dione
CID 23402538
4,5-Ditert-butyl-1-methyl-2-propylpyridazine-3,6-dione
CID 23552335
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
6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione
CID 59354833
4,5-Diethyl-1,2-dimethylpyridazine-3,6-dione
CID 118408753
1,2,4,5-Tetratert-butylpyridazine-3,6-dione
CID 160487013

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one?
The IUPAC name of 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one (CID 20871968) is 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one.
What is the SMILES notation for 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one?
The canonical SMILES for 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one is CCCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C.
What is the InChIKey of 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one?
The InChIKey is FDLUSLGDFSRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-9-10-11-19-12-13(16(2,3)4)14(17(5,6)7)15(20)18(19)8/h9-12H2,1-8H3.
What are the key properties of 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one?
2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one has a molecular weight of 280.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-ditert-butyl-1-methyl-3H-pyridazin-6-one is sourced from PubChem (CID 20871968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).