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

C12H12F3N5O6 — CID 166759459

IUPAC6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
SMILESNCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H11N5O4.C2HF3O2/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9;3-2(4,5)1(6)7/h2,5H,1,3-4,11H2,(H,13,14,16);(H,6,7)
InChIKeyGAVFYKNPVPRPFM-UHFFFAOYSA-N
MW379.25 g/mol
LogP-0.28
Rot. Bonds2

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

6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid (PubChem CID 166759459) has the molecular formula C12H12F3N5O6 and a molecular weight of 379.25 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-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-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
PubChem CID166759459
Molecular FormulaC12H12F3N5O6
Molecular Weight379.25 g/mol
Exact Mass379.07
IUPAC Name6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
SMILESNCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H11N5O4.C2HF3O2/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9;3-2(4,5)1(6)7/h2,5H,1,3-4,11H2,(H,13,14,16);(H,6,7)
InChIKeyGAVFYKNPVPRPFM-UHFFFAOYSA-N
XLogP-0.28
TPSA156.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[5-(aminomethyl)-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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Launch Full Analysis

Related Compounds

tert-butyl N-[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]carbamate
CID 156861907
6-[(5R)-5-[2-[[(6S)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862350
2-amino-N-[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 167514439
6-[5-[2-[(1-chloro-4-fluoro-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862015
2-[[7-fluoro-2-[[2-[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 156862901
(3S)-3-amino-4-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]amino]-4-oxobutanoic acid
CID 167514619
6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601127
6-[(5R)-5-[2-[[6-(2-amino-2-methylpropoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861855
6-[(5S)-5-[[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 155162513
6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane
CID 159146316
6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601074
6-[(5R)-5-[2-[1-(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)ethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759761

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-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-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid (CID 166759459) is 6-[5-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid is NCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[5-(aminomethyl)-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 GAVFYKNPVPRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4.C2HF3O2/c11-1-5-3-15(10(17)19-5)6-2-12-9-8(13-6)14-7(16)4-18-9;3-2(4,5)1(6)7/h2,5H,1,3-4,11H2,(H,13,14,16);(H,6,7).
What are the key properties of 6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid?
6-[5-(aminomethyl)-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 379.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-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 166759459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).