[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H14F3N3O — CID 134539275

IUPAC[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-7-14(11-15)18(26)16-9-10-17(25-24-16)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,23,25)
InChIKeyKBGOQTZLAMAISM-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.34
Rot. Bonds5

About [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539275) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539275
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-7-14(11-15)18(26)16-9-10-17(25-24-16)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,23,25)
InChIKeyKBGOQTZLAMAISM-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(benzylamino)pyridazin-3-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 [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539275) is [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KBGOQTZLAMAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)15-8-4-7-14(11-15)18(26)16-9-10-17(25-24-16)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,23,25).
What are the key properties of [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 357.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).