pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone

C12H7F3N2O — CID 15264931

IUPACpyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccnnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7H
InChIKeyOFNMENDGIOAVJA-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.73
Rot. Bonds2

About pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone

pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 15264931) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID15264931
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namepyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccnnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7H
InChIKeyOFNMENDGIOAVJA-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone 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 pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone (CID 15264931) is pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1ccnnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OFNMENDGIOAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)10-3-1-2-8(6-10)11(18)9-4-5-16-17-7-9/h1-7H.
What are the key properties of pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 252.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 15264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).