5-bromo-3-ethyl-1H-pyridazin-6-one

C6H7BrN2O — CID 117106895

IUPAC5-bromo-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C6H7BrN2O/c1-2-4-3-5(7)6(10)9-8-4/h3H,2H2,1H3,(H,9,10)
InChIKeyISRNQHYFSLSZOS-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.09
Rot. Bonds1

About 5-bromo-3-ethyl-1H-pyridazin-6-one

5-bromo-3-ethyl-1H-pyridazin-6-one (PubChem CID 117106895) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-ethyl-1H-pyridazin-6-one
PubChem CID117106895
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C6H7BrN2O/c1-2-4-3-5(7)6(10)9-8-4/h3H,2H2,1H3,(H,9,10)
InChIKeyISRNQHYFSLSZOS-UHFFFAOYSA-N
XLogP1.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-ethyl-1H-pyridazin-6-one 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 5-bromo-3-ethyl-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-ethyl-1H-pyridazin-6-one (CID 117106895) is 5-bromo-3-ethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-ethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-ethyl-1H-pyridazin-6-one is CCc1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-3-ethyl-1H-pyridazin-6-one?
The InChIKey is ISRNQHYFSLSZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-4-3-5(7)6(10)9-8-4/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-bromo-3-ethyl-1H-pyridazin-6-one?
5-bromo-3-ethyl-1H-pyridazin-6-one has a molecular weight of 203.04 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-1H-pyridazin-6-one is sourced from PubChem (CID 117106895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).