3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde

C11H11F3N4O — CID 123902360

IUPAC3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCNCc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H11F3N4O/c1-6-9(11(12,13)14)16-10-7(4-15-2)3-8(5-19)17-18(6)10/h3,5,15H,4H2,1-2H3
InChIKeyPQSSOZQAIKBTSX-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.59
Rot. Bonds3

About 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde

3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (PubChem CID 123902360) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
PubChem CID123902360
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCNCc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H11F3N4O/c1-6-9(11(12,13)14)16-10-7(4-15-2)3-8(5-19)17-18(6)10/h3,5,15H,4H2,1-2H3
InChIKeyPQSSOZQAIKBTSX-UHFFFAOYSA-N
XLogP1.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The IUPAC name of 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (CID 123902360) is 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.
What is the SMILES notation for 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The canonical SMILES for 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is CNCc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The InChIKey is PQSSOZQAIKBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-9(11(12,13)14)16-10-7(4-15-2)3-8(5-19)17-18(6)10/h3,5,15H,4H2,1-2H3.
What are the key properties of 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde has a molecular weight of 272.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is sourced from PubChem (CID 123902360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).