3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C12H9F3N2O2 — CID 3073152

IUPAC3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCOc1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H9F3N2O2/c1-19-11-10(18)5-6-17(16-11)9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3
InChIKeyWUNKIZHCEIZRCI-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.26
Rot. Bonds2

About 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 3073152) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID3073152
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCOc1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H9F3N2O2/c1-19-11-10(18)5-6-17(16-11)9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3
InChIKeyWUNKIZHCEIZRCI-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxylate
CID 1481306
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073145
4(1H)-Pyridazinone, 3-(acetyloxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073146
4(1H)-Pyridazinone, 3-ethoxy-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073147
4(1H)-Pyridazinone, 6-methyl-3-(2-propenyloxy)-1-(3-(trifluoromethyl)phenyl)-
CID 3073148
4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073150
4(1H)-Pyridazinone, 3-methoxy-6-methyl-1-(3-methylphenyl)-
CID 3073156
3-[3-(dimethylamino)prop-2-enoyl]-1-[4-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
CID 2745040
3-((E)-3-Dimethylamino-acryloyl)-1-(4-trifluoromethyl-phenyl)-1H-pyridazin-4-one
CID 5704110
4(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073151
4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-
CID 3073153
4(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, (E)-2-butenedioate (1:1)
CID 6448745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 3073152) is 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is COc1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is WUNKIZHCEIZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-19-11-10(18)5-6-17(16-11)9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 270.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 3073152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).