4,5-dibromo-2-propan-2-ylpyridazin-3-one

C7H8Br2N2O — CID 10827742

IUPAC4,5-dibromo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O/c1-4(2)11-7(12)6(9)5(8)3-10-11/h3-4H,1-2H3
InChIKeyFCVZSCKKXWVHEU-UHFFFAOYSA-N
MW295.96 g/mol
LogP2.35
Rot. Bonds1

About 4,5-dibromo-2-propan-2-ylpyridazin-3-one

4,5-dibromo-2-propan-2-ylpyridazin-3-one (PubChem CID 10827742) has the molecular formula C7H8Br2N2O and a molecular weight of 295.96 g/mol. Its IUPAC name is 4,5-dibromo-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-propan-2-ylpyridazin-3-one
PubChem CID10827742
Molecular FormulaC7H8Br2N2O
Molecular Weight295.96 g/mol
Exact Mass293.90
IUPAC Name4,5-dibromo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O/c1-4(2)11-7(12)6(9)5(8)3-10-11/h3-4H,1-2H3
InChIKeyFCVZSCKKXWVHEU-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.35
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-propan-2-ylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-propan-2-ylpyridazin-3-one (CID 10827742) is 4,5-dibromo-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-propan-2-ylpyridazin-3-one?
The InChIKey is FCVZSCKKXWVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O/c1-4(2)11-7(12)6(9)5(8)3-10-11/h3-4H,1-2H3.
What are the key properties of 4,5-dibromo-2-propan-2-ylpyridazin-3-one?
4,5-dibromo-2-propan-2-ylpyridazin-3-one has a molecular weight of 295.96 g/mol, XLogP of 2.35, 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-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 10827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).