6-bromo-2-cyclobutylpyridazin-3-one

C8H9BrN2O — CID 124925953

IUPAC6-bromo-2-cyclobutylpyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CCC1
InChIInChI=1S/C8H9BrN2O/c9-7-4-5-8(12)11(10-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyFGLCBVCSTUMYIC-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.73
Rot. Bonds1

About 6-bromo-2-cyclobutylpyridazin-3-one

6-bromo-2-cyclobutylpyridazin-3-one (PubChem CID 124925953) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 6-bromo-2-cyclobutylpyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-cyclobutylpyridazin-3-one
PubChem CID124925953
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name6-bromo-2-cyclobutylpyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CCC1
InChIInChI=1S/C8H9BrN2O/c9-7-4-5-8(12)11(10-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyFGLCBVCSTUMYIC-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Bromo-2-(3,3-difluorocyclobutyl)pyridazin-3-one
CID 169238570
6-Bromo-2-isopropylpyridazin-3(2H)-one
CID 91658692
6-Bromo-2-cyclopropylpyridazin-3-one
CID 121314031
2-(4-Bromobutyl)-6-chloropyridazin-3-one
CID 140120072
6-Bromo-2-propylpyridazin-3-one
CID 165406374
2-(4-Bromobutyl)pyridazin-3-one
CID 62849590
6-Bromo-2-(cyclobutylmethyl)pyridazin-3(2H)-one
CID 124926589
4-Bromo-2-cyclobutylpyridazin-3(2H)-one
CID 124928386
6-Bromo-2-(cyclopropylmethyl)pyridazin-3(2H)-one
CID 124928421
2-Cyclobutyl-2,3-dihydropyridazin-3-one
CID 126857264
2-Cyclobutyl-6-methyl-2,3-dihydropyridazin-3-one
CID 126857283
2-Cyclobutyl-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857367

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclobutylpyridazin-3-one?
The IUPAC name of 6-bromo-2-cyclobutylpyridazin-3-one (CID 124925953) is 6-bromo-2-cyclobutylpyridazin-3-one.
What is the SMILES notation for 6-bromo-2-cyclobutylpyridazin-3-one?
The canonical SMILES for 6-bromo-2-cyclobutylpyridazin-3-one is O=c1ccc(Br)nn1C1CCC1.
What is the InChIKey of 6-bromo-2-cyclobutylpyridazin-3-one?
The InChIKey is FGLCBVCSTUMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-4-5-8(12)11(10-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 6-bromo-2-cyclobutylpyridazin-3-one?
6-bromo-2-cyclobutylpyridazin-3-one has a molecular weight of 229.08 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclobutylpyridazin-3-one is sourced from PubChem (CID 124925953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).