4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one

C9H12Br2N2O2 — CID 106455792

IUPAC4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one
SMILESCCCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H12Br2N2O2/c1-2-4-15-5-3-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3
InChIKeyHDMHCICKMMPLKY-UHFFFAOYSA-N
MW340.02 g/mol
LogP2.19
Rot. Bonds5

About 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one

4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one (PubChem CID 106455792) has the molecular formula C9H12Br2N2O2 and a molecular weight of 340.02 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one
PubChem CID106455792
Molecular FormulaC9H12Br2N2O2
Molecular Weight340.02 g/mol
Exact Mass337.93
IUPAC Name4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one
SMILESCCCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H12Br2N2O2/c1-2-4-15-5-3-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3
InChIKeyHDMHCICKMMPLKY-UHFFFAOYSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.02
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-5-[2-methoxyethyl(methyl)amino]-2-methylpyridazin-3-one
CID 56789092
Tert-butyl 2-(4,5-dibromo-6-oxo-1,6-dihydropyridazin-1-yl)acetate
CID 31202849
4,5-Dibromo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114386327
4,5-Dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 115591578
4-Bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 143090952
Fbeuaucoublfeq-uhfffaoysa-
CID 11382221
3(2H)-Pyridazinone, 4,5-dibromo-2-(2-hydroxyethyl)-
CID 11673796
Ethyl 2-(4,5-dibromo-6-oxopyridazin-1(6H)-yl)acetate
CID 59574424
4-Bromo-2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 162437696
1-[2-(2-Azidoethoxy)ethyl]-4,5-dibromo-2-methylpyridazine-3,6-dione
CID 177300548
4-Bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 14176298
Methyl 4,5-dibromo-6-oxo-1(6H)-pyridazineacetate
CID 15355996

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one (CID 106455792) is 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one is CCCOCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one?
The InChIKey is HDMHCICKMMPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O2/c1-2-4-15-5-3-13-9(14)8(11)7(10)6-12-13/h6H,2-5H2,1H3.
What are the key properties of 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one?
4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one has a molecular weight of 340.02 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-propoxyethyl)pyridazin-3-one is sourced from PubChem (CID 106455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).