4-bromo-2-(oxan-2-yl)pyridazin-3-one

C9H11BrN2O2 — CID 68758387

IUPAC4-bromo-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Br)ccnn1C1CCCCO1
InChIInChI=1S/C9H11BrN2O2/c10-7-4-5-11-12(9(7)13)8-3-1-2-6-14-8/h4-5,8H,1-3,6H2
InChIKeyPOAPVNRQMNLGKJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.70
Rot. Bonds1

About 4-bromo-2-(oxan-2-yl)pyridazin-3-one

4-bromo-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 68758387) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4-bromo-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(oxan-2-yl)pyridazin-3-one
PubChem CID68758387
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name4-bromo-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Br)ccnn1C1CCCCO1
InChIInChI=1S/C9H11BrN2O2/c10-7-4-5-11-12(9(7)13)8-3-1-2-6-14-8/h4-5,8H,1-3,6H2
InChIKeyPOAPVNRQMNLGKJ-UHFFFAOYSA-N
XLogP1.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-(oxan-2-yl)pyridazin-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-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(oxan-2-yl)pyridazin-3-one (CID 68758387) is 4-bromo-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Br)ccnn1C1CCCCO1.
What is the InChIKey of 4-bromo-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is POAPVNRQMNLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-4-5-11-12(9(7)13)8-3-1-2-6-14-8/h4-5,8H,1-3,6H2.
What are the key properties of 4-bromo-2-(oxan-2-yl)pyridazin-3-one?
4-bromo-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 259.10 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 68758387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).