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

C8H10Br2N2O — CID 10828722

IUPAC4,5-dibromo-2-butylpyridazin-3-one
SMILESCCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C8H10Br2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h5H,2-4H2,1H3
InChIKeyAPJSTBYVVRWPAG-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.57
Rot. Bonds3

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

4,5-dibromo-2-butylpyridazin-3-one (PubChem CID 10828722) has the molecular formula C8H10Br2N2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 4,5-dibromo-2-butylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-butylpyridazin-3-one
PubChem CID10828722
Molecular FormulaC8H10Br2N2O
Molecular Weight309.99 g/mol
Exact Mass307.92
IUPAC Name4,5-dibromo-2-butylpyridazin-3-one
SMILESCCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C8H10Br2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h5H,2-4H2,1H3
InChIKeyAPJSTBYVVRWPAG-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-butylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-butylpyridazin-3-one (CID 10828722) is 4,5-dibromo-2-butylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-butylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-butylpyridazin-3-one is CCCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-butylpyridazin-3-one?
The InChIKey is APJSTBYVVRWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2O/c1-2-3-4-12-8(13)7(10)6(9)5-11-12/h5H,2-4H2,1H3.
What are the key properties of 4,5-dibromo-2-butylpyridazin-3-one?
4,5-dibromo-2-butylpyridazin-3-one has a molecular weight of 309.99 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-butylpyridazin-3-one is sourced from PubChem (CID 10828722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).