3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline

C19H13F3N4 — CID 155551586

IUPAC3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
SMILESNc1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-1-4-13(9-14)17-11-24-18-8-7-16(25-26(17)18)12-3-2-6-15(23)10-12/h1-11H,23H2
InChIKeySLDONAKOQXVYCS-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.66
Rot. Bonds2

About 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline

3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline (PubChem CID 155551586) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
PubChem CID155551586
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
SMILESNc1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-1-4-13(9-14)17-11-24-18-8-7-16(25-26(17)18)12-3-2-6-15(23)10-12/h1-11H,23H2
InChIKeySLDONAKOQXVYCS-UHFFFAOYSA-N
XLogP4.66
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline 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-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline?
The IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline (CID 155551586) is 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline is Nc1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline?
The InChIKey is SLDONAKOQXVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)14-5-1-4-13(9-14)17-11-24-18-8-7-16(25-26(17)18)12-3-2-6-15(23)10-12/h1-11H,23H2.
What are the key properties of 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline?
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline has a molecular weight of 354.34 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline is sourced from PubChem (CID 155551586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).