4H-pyrazino[2,3-b][1,4]oxazin-3-one

C6H5N3O2 — CID 118022747

IUPAC4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2nccnc2N1
InChIInChI=1S/C6H5N3O2/c10-4-3-11-6-5(9-4)7-1-2-8-6/h1-2H,3H2,(H,7,9,10)
InChIKeyQQWWDSRPZBNPEE-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.19
Rot. Bonds

About 4H-pyrazino[2,3-b][1,4]oxazin-3-one

4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 118022747) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID118022747
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESO=C1COc2nccnc2N1
InChIInChI=1S/C6H5N3O2/c10-4-3-11-6-5(9-4)7-1-2-8-6/h1-2H,3H2,(H,7,9,10)
InChIKeyQQWWDSRPZBNPEE-UHFFFAOYSA-N
XLogP-0.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-pyridazino[3,4-b][1,4]oxazin-6-one
CID 118023009
4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one
CID 67223618
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
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-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite
CID 142601080
4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 608089
7-(4-aminonaphthalen-1-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 22631411
4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
CID 66908669
7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 139270783
1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one
CID 137243957

Frequently Asked Questions

What is the IUPAC name of 4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 118022747) is 4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 4H-pyrazino[2,3-b][1,4]oxazin-3-one is O=C1COc2nccnc2N1.
What is the InChIKey of 4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is QQWWDSRPZBNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-4-3-11-6-5(9-4)7-1-2-8-6/h1-2H,3H2,(H,7,9,10).
What are the key properties of 4H-pyrazino[2,3-b][1,4]oxazin-3-one?
4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 151.12 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 118022747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).