3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

C13H11F3N2O2 — CID 174196078

IUPAC3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESCOc1cc(C(F)(F)F)cc(C)c1-c1ccc(=O)[nH]n1
InChIInChI=1S/C13H11F3N2O2/c1-7-5-8(13(14,15)16)6-10(20-2)12(7)9-3-4-11(19)18-17-9/h3-6H,1-2H3,(H,18,19)
InChIKeyTZYUXEMNGWXXSY-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.77
Rot. Bonds2

About 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (PubChem CID 174196078) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
PubChem CID174196078
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
SMILESCOc1cc(C(F)(F)F)cc(C)c1-c1ccc(=O)[nH]n1
InChIInChI=1S/C13H11F3N2O2/c1-7-5-8(13(14,15)16)6-10(20-2)12(7)9-3-4-11(19)18-17-9/h3-6H,1-2H3,(H,18,19)
InChIKeyTZYUXEMNGWXXSY-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-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 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one (CID 174196078) is 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is COc1cc(C(F)(F)F)cc(C)c1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is TZYUXEMNGWXXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-5-8(13(14,15)16)6-10(20-2)12(7)9-3-4-11(19)18-17-9/h3-6H,1-2H3,(H,18,19).
What are the key properties of 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one?
3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 174196078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).