4-acetyl-6-tert-butyl-2-methylpyridazin-3-one

C11H16N2O2 — CID 82443546

IUPAC4-acetyl-6-tert-butyl-2-methylpyridazin-3-one
SMILESCC(=O)c1cc(C(C)(C)C)nn(C)c1=O
InChIInChI=1S/C11H16N2O2/c1-7(14)8-6-9(11(2,3)4)12-13(5)10(8)15/h6H,1-5H3
InChIKeyYAKALURPESSSDM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds1

About 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one

4-acetyl-6-tert-butyl-2-methylpyridazin-3-one (PubChem CID 82443546) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-tert-butyl-2-methylpyridazin-3-one
PubChem CID82443546
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-acetyl-6-tert-butyl-2-methylpyridazin-3-one
SMILESCC(=O)c1cc(C(C)(C)C)nn(C)c1=O
InChIInChI=1S/C11H16N2O2/c1-7(14)8-6-9(11(2,3)4)12-13(5)10(8)15/h6H,1-5H3
InChIKeyYAKALURPESSSDM-UHFFFAOYSA-N
XLogP1.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443550
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516
6-tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
3-(6-tert-butyl-2-methyl-3-oxopyridazin-4-yl)propanoyl chloride
CID 82443552
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
2-butyl-6-tert-butyl-3-oxopyridazine-4-carbonyl chloride
CID 82443711
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
3-(3-tert-butyl-1-methylpyrazol-5-yl)propanoic acid
CID 83702889
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-5-methylbenzoic acid
CID 69276840

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one?
The IUPAC name of 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one (CID 82443546) is 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one is CC(=O)c1cc(C(C)(C)C)nn(C)c1=O.
What is the InChIKey of 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one?
The InChIKey is YAKALURPESSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(14)8-6-9(11(2,3)4)12-13(5)10(8)15/h6H,1-5H3.
What are the key properties of 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one?
4-acetyl-6-tert-butyl-2-methylpyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-tert-butyl-2-methylpyridazin-3-one is sourced from PubChem (CID 82443546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).