1-(6-amino-5-bromopyridazin-3-yl)ethanone

C6H6BrN3O — CID 163887627

IUPAC1-(6-amino-5-bromopyridazin-3-yl)ethanone
SMILESCC(=O)c1cc(Br)c(N)nn1
InChIInChI=1S/C6H6BrN3O/c1-3(11)5-2-4(7)6(8)10-9-5/h2H,1H3,(H2,8,10)
InChIKeyZBHAIQYXHBXGKZ-UHFFFAOYSA-N
MW216.04 g/mol
LogP1.02
Rot. Bonds1

About 1-(6-amino-5-bromopyridazin-3-yl)ethanone

1-(6-amino-5-bromopyridazin-3-yl)ethanone (PubChem CID 163887627) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 1-(6-amino-5-bromopyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-5-bromopyridazin-3-yl)ethanone
PubChem CID163887627
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name1-(6-amino-5-bromopyridazin-3-yl)ethanone
SMILESCC(=O)c1cc(Br)c(N)nn1
InChIInChI=1S/C6H6BrN3O/c1-3(11)5-2-4(7)6(8)10-9-5/h2H,1H3,(H2,8,10)
InChIKeyZBHAIQYXHBXGKZ-UHFFFAOYSA-N
XLogP1.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-amino-5-bromopyridazin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-bromopyridazin-3-yl)ethanone?
The IUPAC name of 1-(6-amino-5-bromopyridazin-3-yl)ethanone (CID 163887627) is 1-(6-amino-5-bromopyridazin-3-yl)ethanone.
What is the SMILES notation for 1-(6-amino-5-bromopyridazin-3-yl)ethanone?
The canonical SMILES for 1-(6-amino-5-bromopyridazin-3-yl)ethanone is CC(=O)c1cc(Br)c(N)nn1.
What is the InChIKey of 1-(6-amino-5-bromopyridazin-3-yl)ethanone?
The InChIKey is ZBHAIQYXHBXGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c1-3(11)5-2-4(7)6(8)10-9-5/h2H,1H3,(H2,8,10).
What are the key properties of 1-(6-amino-5-bromopyridazin-3-yl)ethanone?
1-(6-amino-5-bromopyridazin-3-yl)ethanone has a molecular weight of 216.04 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-bromopyridazin-3-yl)ethanone is sourced from PubChem (CID 163887627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).