(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate

C7H3F3N4O3 — CID 68853251

IUPAC(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c(=O)[nH]c2nccnc21)C(F)(F)F
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)5(15)17-14-4-3(13-6(14)16)11-1-2-12-4/h1-2H,(H,11,13,16)
InChIKeyNVDRXUMMKPUPAO-UHFFFAOYSA-N
MW248.12 g/mol
LogP-0.36
Rot. Bonds1

About (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate

(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate (PubChem CID 68853251) has the molecular formula C7H3F3N4O3 and a molecular weight of 248.12 g/mol. Its IUPAC name is (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate
PubChem CID68853251
Molecular FormulaC7H3F3N4O3
Molecular Weight248.12 g/mol
Exact Mass248.02
IUPAC Name(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c(=O)[nH]c2nccnc21)C(F)(F)F
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)5(15)17-14-4-3(13-6(14)16)11-1-2-12-4/h1-2H,(H,11,13,16)
InChIKeyNVDRXUMMKPUPAO-UHFFFAOYSA-N
XLogP-0.36
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate (CID 68853251) is (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate is O=C(On1c(=O)[nH]c2nccnc21)C(F)(F)F.
What is the InChIKey of (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is NVDRXUMMKPUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O3/c8-7(9,10)5(15)17-14-4-3(13-6(14)16)11-1-2-12-4/h1-2H,(H,11,13,16).
What are the key properties of (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate?
(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 248.12 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 68853251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).