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

C10H8F3N3O — CID 118278205

IUPAC3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C10H8F3N3O/c1-5-3-7(4-17)15-16-6(2)8(10(11,12)13)14-9(5)16/h3-4H,1-2H3
InChIKeyKZQNIIJRIJKIBB-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.18
Rot. Bonds1

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

3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (PubChem CID 118278205) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
PubChem CID118278205
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C10H8F3N3O/c1-5-3-7(4-17)15-16-6(2)8(10(11,12)13)14-9(5)16/h3-4H,1-2H3
InChIKeyKZQNIIJRIJKIBB-UHFFFAOYSA-N
XLogP2.18
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The IUPAC name of 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (CID 118278205) is 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.
What is the SMILES notation for 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The canonical SMILES for 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is Cc1cc(C=O)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The InChIKey is KZQNIIJRIJKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-5-3-7(4-17)15-16-6(2)8(10(11,12)13)14-9(5)16/h3-4H,1-2H3.
What are the key properties of 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde has a molecular weight of 243.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is sourced from PubChem (CID 118278205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).