4-bromo-2-ethyl-5-hydroxypyridazin-3-one

C6H7BrN2O2 — CID 54715446

IUPAC4-bromo-2-ethyl-5-hydroxypyridazin-3-one
SMILESCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C6H7BrN2O2/c1-2-9-6(11)5(7)4(10)3-8-9/h3,10H,2H2,1H3
InChIKeyPUKOGQZYLPHYSM-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.73
Rot. Bonds1

About 4-bromo-2-ethyl-5-hydroxypyridazin-3-one

4-bromo-2-ethyl-5-hydroxypyridazin-3-one (PubChem CID 54715446) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-hydroxypyridazin-3-one
PubChem CID54715446
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name4-bromo-2-ethyl-5-hydroxypyridazin-3-one
SMILESCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C6H7BrN2O2/c1-2-9-6(11)5(7)4(10)3-8-9/h3,10H,2H2,1H3
InChIKeyPUKOGQZYLPHYSM-UHFFFAOYSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-ethyl-5-hydroxypyridazin-3-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 4-bromo-2-ethyl-5-hydroxypyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-hydroxypyridazin-3-one (CID 54715446) is 4-bromo-2-ethyl-5-hydroxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-hydroxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-hydroxypyridazin-3-one is CCn1ncc(O)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-hydroxypyridazin-3-one?
The InChIKey is PUKOGQZYLPHYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-2-9-6(11)5(7)4(10)3-8-9/h3,10H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-hydroxypyridazin-3-one?
4-bromo-2-ethyl-5-hydroxypyridazin-3-one has a molecular weight of 219.04 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-hydroxypyridazin-3-one is sourced from PubChem (CID 54715446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).