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

C9H6F3N3O — CID 90133764

IUPAC3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCc1c(C(F)(F)F)nc2ccc(C=O)nn12
InChIInChI=1S/C9H6F3N3O/c1-5-8(9(10,11)12)13-7-3-2-6(4-16)14-15(5)7/h2-4H,1H3
InChIKeyRMTVHKBAIMICCH-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.87
Rot. Bonds1

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

3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (PubChem CID 90133764) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
PubChem CID90133764
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCc1c(C(F)(F)F)nc2ccc(C=O)nn12
InChIInChI=1S/C9H6F3N3O/c1-5-8(9(10,11)12)13-7-3-2-6(4-16)14-15(5)7/h2-4H,1H3
InChIKeyRMTVHKBAIMICCH-UHFFFAOYSA-N
XLogP1.87
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyridine-5-carbaldehyde
CID 10374584
3-Methyl-2-(trifluoromethyl)-6-vinylimidazo[1,2-b]pyridazine
CID 90133848
6-formyl-N,3-dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 118111858
3,8-Dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 118278205
6,7-Dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122513591
2-(Difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine
CID 123378587
6-Ethyl-3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 123580537
3-Methyl-8-(methylaminomethyl)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 123902360
3,6-Dimethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 126658888
6-[2-(Difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde
CID 126708866
Methyl 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylate
CID 140685485
2-(Trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 159764415

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The IUPAC name of 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde (CID 90133764) is 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is Cc1c(C(F)(F)F)nc2ccc(C=O)nn12.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
The InChIKey is RMTVHKBAIMICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5-8(9(10,11)12)13-7-3-2-6(4-16)14-15(5)7/h2-4H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde?
3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde has a molecular weight of 229.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbaldehyde is sourced from PubChem (CID 90133764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).