N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide

C9H3BrF6N4O — CID 59496141

IUPACN-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(C(F)(F)F)nn2c1Br)C(F)(F)F
InChIInChI=1S/C9H3BrF6N4O/c10-5-6(18-7(21)9(14,15)16)17-4-2-1-3(8(11,12)13)19-20(4)5/h1-2H,(H,18,21)
InChIKeyQCEBCRRKUOBQEQ-UHFFFAOYSA-N
MW377.04 g/mol
LogP3.01
Rot. Bonds1

About N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide

N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 59496141) has the molecular formula C9H3BrF6N4O and a molecular weight of 377.04 g/mol. Its IUPAC name is N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID59496141
Molecular FormulaC9H3BrF6N4O
Molecular Weight377.04 g/mol
Exact Mass375.94
IUPAC NameN-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(C(F)(F)F)nn2c1Br)C(F)(F)F
InChIInChI=1S/C9H3BrF6N4O/c10-5-6(18-7(21)9(14,15)16)17-4-2-1-3(8(11,12)13)19-20(4)5/h1-2H,(H,18,21)
InChIKeyQCEBCRRKUOBQEQ-UHFFFAOYSA-N
XLogP3.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide (CID 59496141) is N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nc2ccc(C(F)(F)F)nn2c1Br)C(F)(F)F.
What is the InChIKey of N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QCEBCRRKUOBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF6N4O/c10-5-6(18-7(21)9(14,15)16)17-4-2-1-3(8(11,12)13)19-20(4)5/h1-2H,(H,18,21).
What are the key properties of N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide?
N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 377.04 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59496141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).