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8-(1-Ethyl-propyl)-2-methyl-6-trifluoromethyl-imidazo[1,2-b]pyridazine

HCID 68856483
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(CC)c1cc(C(F)(F)F)nn2cc(C)nc12
InChIKey
SPBBPHFOTSVBLG-UHFFFAOYSA-N
Molecular formula
C13H16F3N3
Average molar mass
271.28 g/mol

Names & identifiers

Preferred name
8-(1-Ethyl-propyl)-2-methyl-6-trifluoromethyl-imidazo[1,2-b]pyridazine
IUPAC
2-methyl-8-pentan-3-yl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

Names & synonyms

8-(1-ethyl-propyl)-2-methyl-6-trifluoromethyl-imidazo[1,2-b]pyridazineSCHEMBL3962872

Database identifiers

PubChem CID
68856483

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
304

Related reactions

2 records
New reaction record
HRID 226030 reaction equation
HRID 226030As reactantuspto-grants-2009_07
HRID 936966 reaction equation
HRID 936966As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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