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

C10H14Br2N2O — CID 115582851

IUPAC4,5-dibromo-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyDJERQSJFZGPEEG-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.35
Rot. Bonds5

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

4,5-dibromo-2-hexylpyridazin-3-one (PubChem CID 115582851) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 4,5-dibromo-2-hexylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-hexylpyridazin-3-one
PubChem CID115582851
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name4,5-dibromo-2-hexylpyridazin-3-one
SMILESCCCCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyDJERQSJFZGPEEG-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dibromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 97178758
4,5-Dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386390
4,5-Dibromo-2-(5-fluoropentyl)pyridazin-3-one
CID 121527037
3(2H)-Pyridazinone, 4,5-dibromo-2-ethyl-
CID 10660506
4,5-Dibromo-2-propylpyridazin-3-one
CID 10756312
2-i-propyl-4,5-dibromo-3(2H)pyridazinone
CID 10827742
4-Bromo-2-butyl-5-sulfanylpyridazin-3-one
CID 19828382
4,5-Dibromo-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 57436845
4,5-Dibromo-2-pentylpyridazin-3-one
CID 69189705
4-Bromo-2-cyclohexyl-5-methylpyridazin-3(2H)-one
CID 71374667
5,6-Dibromo-2-pentylpyridazin-3-one
CID 89928976
4,5-Dibromo-2-butylpyridazin-3-one
CID 10828722

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-hexylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-hexylpyridazin-3-one (CID 115582851) is 4,5-dibromo-2-hexylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-hexylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-hexylpyridazin-3-one is CCCCCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-hexylpyridazin-3-one?
The InChIKey is DJERQSJFZGPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-2-3-4-5-6-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3.
What are the key properties of 4,5-dibromo-2-hexylpyridazin-3-one?
4,5-dibromo-2-hexylpyridazin-3-one has a molecular weight of 338.04 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-hexylpyridazin-3-one is sourced from PubChem (CID 115582851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).