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

C9H7F3N4O2 — CID 118115203

IUPACmethyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1c(N)nc2ccc(C(F)(F)F)nn12
InChIInChI=1S/C9H7F3N4O2/c1-18-8(17)6-7(13)14-5-3-2-4(9(10,11)12)15-16(5)6/h2-3H,13H2,1H3
InChIKeyBVPCGNQZXDFGOC-UHFFFAOYSA-N
MW260.18 g/mol
LogP1.12
Rot. Bonds1

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

methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 118115203) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID118115203
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Namemethyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1c(N)nc2ccc(C(F)(F)F)nn12
InChIInChI=1S/C9H7F3N4O2/c1-18-8(17)6-7(13)14-5-3-2-4(9(10,11)12)15-16(5)6/h2-3H,13H2,1H3
InChIKeyBVPCGNQZXDFGOC-UHFFFAOYSA-N
XLogP1.12
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 118115899
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid
CID 83387250
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
CID 79084342
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767
methyl 2-(dimethylcarbamothioyloxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 54373048

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate (CID 118115203) is methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate is COC(=O)c1c(N)nc2ccc(C(F)(F)F)nn12.
What is the InChIKey of methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is BVPCGNQZXDFGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c1-18-8(17)6-7(13)14-5-3-2-4(9(10,11)12)15-16(5)6/h2-3H,13H2,1H3.
What are the key properties of methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate?
methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 260.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 118115203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).