4-bromo-5-hydroxy-2-propylpyridazin-3-one

C7H9BrN2O2 — CID 54714550

IUPAC4-bromo-5-hydroxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3
InChIKeyVQTCOFQHKNLNQM-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.12
Rot. Bonds2

About 4-bromo-5-hydroxy-2-propylpyridazin-3-one

4-bromo-5-hydroxy-2-propylpyridazin-3-one (PubChem CID 54714550) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-5-hydroxy-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-hydroxy-2-propylpyridazin-3-one
PubChem CID54714550
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name4-bromo-5-hydroxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(O)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3
InChIKeyVQTCOFQHKNLNQM-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-5-hydroxy-2-propylpyridazin-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-5-hydroxy-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-hydroxy-2-propylpyridazin-3-one (CID 54714550) is 4-bromo-5-hydroxy-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-hydroxy-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-hydroxy-2-propylpyridazin-3-one is CCCn1ncc(O)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-hydroxy-2-propylpyridazin-3-one?
The InChIKey is VQTCOFQHKNLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3.
What are the key properties of 4-bromo-5-hydroxy-2-propylpyridazin-3-one?
4-bromo-5-hydroxy-2-propylpyridazin-3-one has a molecular weight of 233.06 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydroxy-2-propylpyridazin-3-one is sourced from PubChem (CID 54714550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).