6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

C11H9F3N4O2 — CID 118111858

IUPAC6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O2/c1-5-8(11(12,13)14)16-9-7(10(20)15-2)3-6(4-19)17-18(5)9/h3-4H,1-2H3,(H,15,20)
InChIKeyOMHPEIRKCIVILU-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.23
Rot. Bonds2

About 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 118111858) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID118111858
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O2/c1-5-8(11(12,13)14)16-9-7(10(20)15-2)3-6(4-19)17-18(5)9/h3-4H,1-2H3,(H,15,20)
InChIKeyOMHPEIRKCIVILU-UHFFFAOYSA-N
XLogP1.23
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide 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-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 118111858) is 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is CNC(=O)c1cc(C=O)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is OMHPEIRKCIVILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-5-8(11(12,13)14)16-9-7(10(20)15-2)3-6(4-19)17-18(5)9/h3-4H,1-2H3,(H,15,20).
What are the key properties of 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 118111858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).