6-bromo-2-(cyclobutylmethyl)pyridazin-3-one

C9H11BrN2O — CID 124926589

IUPAC6-bromo-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CC1CCC1
InChIInChI=1S/C9H11BrN2O/c10-8-4-5-9(13)12(11-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyJZBHCKMTZKVBCX-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.81
Rot. Bonds2

About 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one

6-bromo-2-(cyclobutylmethyl)pyridazin-3-one (PubChem CID 124926589) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(cyclobutylmethyl)pyridazin-3-one
PubChem CID124926589
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name6-bromo-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CC1CCC1
InChIInChI=1S/C9H11BrN2O/c10-8-4-5-9(13)12(11-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyJZBHCKMTZKVBCX-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(cyclobutylmethyl)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 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one (CID 124926589) is 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one is O=c1ccc(Br)nn1CC1CCC1.
What is the InChIKey of 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The InChIKey is JZBHCKMTZKVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-4-5-9(13)12(11-8)6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
6-bromo-2-(cyclobutylmethyl)pyridazin-3-one has a molecular weight of 243.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(cyclobutylmethyl)pyridazin-3-one is sourced from PubChem (CID 124926589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).