methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite

C9H14N6O4 — CID 142601080

IUPACmethanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite
SMILESCN.O=NOCCNc1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C8H9N5O4.CH5N/c14-6-4-16-8-7(12-6)11-5(3-10-8)9-1-2-17-13-15;1-2/h3H,1-2,4H2,(H2,9,11,12,14);2H2,1H3
InChIKeyXROSRTMMQXSTEV-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.51
Rot. Bonds5

About methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite

methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite (PubChem CID 142601080) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite.

Molecular Properties

Compound Namemethanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite
PubChem CID142601080
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Namemethanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite
SMILESCN.O=NOCCNc1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C8H9N5O4.CH5N/c14-6-4-16-8-7(12-6)11-5(3-10-8)9-1-2-17-13-15;1-2/h3H,1-2,4H2,(H2,9,11,12,14);2H2,1H3
InChIKeyXROSRTMMQXSTEV-UHFFFAOYSA-N
XLogP-0.51
TPSA140.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
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
tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate
CID 166766667
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
6-[5-(2-azidoethyl)-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861716
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen
CID 156861713
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-[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
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-[[(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
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

Frequently Asked Questions

What is the IUPAC name of methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite?
The IUPAC name of methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite (CID 142601080) is methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite.
What is the SMILES notation for methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite?
The canonical SMILES for methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite is CN.O=NOCCNc1cnc2c(n1)NC(=O)CO2.
What is the InChIKey of methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite?
The InChIKey is XROSRTMMQXSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4.CH5N/c14-6-4-16-8-7(12-6)11-5(3-10-8)9-1-2-17-13-15;1-2/h3H,1-2,4H2,(H2,9,11,12,14);2H2,1H3.
What are the key properties of methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite?
methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite has a molecular weight of 270.25 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite is sourced from PubChem (CID 142601080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).