6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid

C13H14F3N5O6 — CID 166759467

IUPAC6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
SMILESNCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13N5O4.C2HF3O2/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10;3-2(4,5)1(6)7/h3,6H,1-2,4-5,12H2,(H,14,15,17);(H,6,7)
InChIKeyCJSGILWXCLSIKB-UHFFFAOYSA-N
MW393.28 g/mol
LogP0.11
Rot. Bonds3

About 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid

6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid (PubChem CID 166759467) has the molecular formula C13H14F3N5O6 and a molecular weight of 393.28 g/mol. Its IUPAC name is 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
PubChem CID166759467
Molecular FormulaC13H14F3N5O6
Molecular Weight393.28 g/mol
Exact Mass393.09
IUPAC Name6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
SMILESNCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13N5O4.C2HF3O2/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10;3-2(4,5)1(6)7/h3,6H,1-2,4-5,12H2,(H,14,15,17);(H,6,7)
InChIKeyCJSGILWXCLSIKB-UHFFFAOYSA-N
XLogP0.11
TPSA156.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid (CID 166759467) is 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid is NCCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is CJSGILWXCLSIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4.C2HF3O2/c12-2-1-6-4-16(11(18)20-6)7-3-13-10-9(14-7)15-8(17)5-19-10;3-2(4,5)1(6)7/h3,6H,1-2,4-5,12H2,(H,14,15,17);(H,6,7).
What are the key properties of 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid?
6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 393.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166759467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).