4,5-difluoro-3-methoxy-1H-pyridazin-6-one

C5H4F2N2O2 — CID 123139016

IUPAC4,5-difluoro-3-methoxy-1H-pyridazin-6-one
SMILESCOc1n[nH]c(=O)c(F)c1F
InChIInChI=1S/C5H4F2N2O2/c1-11-5-3(7)2(6)4(10)8-9-5/h1H3,(H,8,10)
InChIKeyJZBBBTWQSQTLFG-UHFFFAOYSA-N
MW162.09 g/mol
LogP0.06
Rot. Bonds1

About 4,5-difluoro-3-methoxy-1H-pyridazin-6-one

4,5-difluoro-3-methoxy-1H-pyridazin-6-one (PubChem CID 123139016) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.09 g/mol. Its IUPAC name is 4,5-difluoro-3-methoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-difluoro-3-methoxy-1H-pyridazin-6-one
PubChem CID123139016
Molecular FormulaC5H4F2N2O2
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name4,5-difluoro-3-methoxy-1H-pyridazin-6-one
SMILESCOc1n[nH]c(=O)c(F)c1F
InChIInChI=1S/C5H4F2N2O2/c1-11-5-3(7)2(6)4(10)8-9-5/h1H3,(H,8,10)
InChIKeyJZBBBTWQSQTLFG-UHFFFAOYSA-N
XLogP0.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-difluoro-3-methoxy-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 4,5-difluoro-3-methoxy-1H-pyridazin-6-one?
The IUPAC name of 4,5-difluoro-3-methoxy-1H-pyridazin-6-one (CID 123139016) is 4,5-difluoro-3-methoxy-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-difluoro-3-methoxy-1H-pyridazin-6-one?
The canonical SMILES for 4,5-difluoro-3-methoxy-1H-pyridazin-6-one is COc1n[nH]c(=O)c(F)c1F.
What is the InChIKey of 4,5-difluoro-3-methoxy-1H-pyridazin-6-one?
The InChIKey is JZBBBTWQSQTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c1-11-5-3(7)2(6)4(10)8-9-5/h1H3,(H,8,10).
What are the key properties of 4,5-difluoro-3-methoxy-1H-pyridazin-6-one?
4,5-difluoro-3-methoxy-1H-pyridazin-6-one has a molecular weight of 162.09 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-methoxy-1H-pyridazin-6-one is sourced from PubChem (CID 123139016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).