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

C9H12Br2N2O — CID 61271498

IUPAC4,5-dibromo-2-pentan-3-ylpyridazin-3-one
SMILESCCC(CC)n1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H12Br2N2O/c1-3-6(4-2)13-9(14)8(11)7(10)5-12-13/h5-6H,3-4H2,1-2H3
InChIKeyGGSFOMFZYOEGCS-UHFFFAOYSA-N
MW324.02 g/mol
LogP3.13
Rot. Bonds3

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

4,5-dibromo-2-pentan-3-ylpyridazin-3-one (PubChem CID 61271498) has the molecular formula C9H12Br2N2O and a molecular weight of 324.02 g/mol. Its IUPAC name is 4,5-dibromo-2-pentan-3-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-pentan-3-ylpyridazin-3-one
PubChem CID61271498
Molecular FormulaC9H12Br2N2O
Molecular Weight324.02 g/mol
Exact Mass321.93
IUPAC Name4,5-dibromo-2-pentan-3-ylpyridazin-3-one
SMILESCCC(CC)n1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H12Br2N2O/c1-3-6(4-2)13-9(14)8(11)7(10)5-12-13/h5-6H,3-4H2,1-2H3
InChIKeyGGSFOMFZYOEGCS-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.02
LogP ≤ 53.13
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-pentan-3-ylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-pentan-3-ylpyridazin-3-one (CID 61271498) is 4,5-dibromo-2-pentan-3-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-pentan-3-ylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-pentan-3-ylpyridazin-3-one is CCC(CC)n1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-pentan-3-ylpyridazin-3-one?
The InChIKey is GGSFOMFZYOEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O/c1-3-6(4-2)13-9(14)8(11)7(10)5-12-13/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-dibromo-2-pentan-3-ylpyridazin-3-one?
4,5-dibromo-2-pentan-3-ylpyridazin-3-one has a molecular weight of 324.02 g/mol, XLogP of 3.13, 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-pentan-3-ylpyridazin-3-one is sourced from PubChem (CID 61271498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).