4,5-dibromo-2-ethylpyridazin-3-one

C6H6Br2N2O — CID 10660506

IUPAC4,5-dibromo-2-ethylpyridazin-3-one
SMILESCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C6H6Br2N2O/c1-2-10-6(11)5(8)4(7)3-9-10/h3H,2H2,1H3
InChIKeyFNNFIPZTBUKDAE-UHFFFAOYSA-N
MW281.94 g/mol
LogP1.79
Rot. Bonds1

About 4,5-dibromo-2-ethylpyridazin-3-one

4,5-dibromo-2-ethylpyridazin-3-one (PubChem CID 10660506) has the molecular formula C6H6Br2N2O and a molecular weight of 281.94 g/mol. Its IUPAC name is 4,5-dibromo-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-ethylpyridazin-3-one
PubChem CID10660506
Molecular FormulaC6H6Br2N2O
Molecular Weight281.94 g/mol
Exact Mass279.88
IUPAC Name4,5-dibromo-2-ethylpyridazin-3-one
SMILESCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C6H6Br2N2O/c1-2-10-6(11)5(8)4(7)3-9-10/h3H,2H2,1H3
InChIKeyFNNFIPZTBUKDAE-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.94
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
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4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
CID 114386344
4,5-dibromo-2-prop-2-ynylpyridazin-3-one
CID 104840224
4,5-dibromo-2-prop-2-enylpyridazin-3-one
CID 10541785
4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
CID 115587307
4-bromo-1,5-diethylpyrazole
CID 66959053
4,5-dibromo-2-[(3-methylimidazol-4-yl)methyl]pyridazin-3-one
CID 115684690
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455791
4,5-dibromo-2-[(4-tert-butylphenyl)methyl]pyridazin-3-one
CID 31202795
4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
CID 104976047
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-ethylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-ethylpyridazin-3-one (CID 10660506) is 4,5-dibromo-2-ethylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-ethylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-ethylpyridazin-3-one is CCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-ethylpyridazin-3-one?
The InChIKey is FNNFIPZTBUKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O/c1-2-10-6(11)5(8)4(7)3-9-10/h3H,2H2,1H3.
What are the key properties of 4,5-dibromo-2-ethylpyridazin-3-one?
4,5-dibromo-2-ethylpyridazin-3-one has a molecular weight of 281.94 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-ethylpyridazin-3-one is sourced from PubChem (CID 10660506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).