2-methyl-6-(trifluoromethyl)pyridazin-3-one

C6H5F3N2O — CID 131085350

IUPAC2-methyl-6-(trifluoromethyl)pyridazin-3-one
SMILESCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-5(12)3-2-4(10-11)6(7,8)9/h2-3H,1H3
InChIKeyFLGAOGAIDMXNKH-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.80
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)pyridazin-3-one

2-methyl-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 131085350) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyridazin-3-one
PubChem CID131085350
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-methyl-6-(trifluoromethyl)pyridazin-3-one
SMILESCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-5(12)3-2-4(10-11)6(7,8)9/h2-3H,1H3
InChIKeyFLGAOGAIDMXNKH-UHFFFAOYSA-N
XLogP0.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-(trifluoromethyl)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 2-methyl-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyridazin-3-one (CID 131085350) is 2-methyl-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyridazin-3-one is Cn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FLGAOGAIDMXNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-11-5(12)3-2-4(10-11)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyridazin-3-one?
2-methyl-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 178.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 131085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).