4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione

C10H7N3O3 — CID 90860605

IUPAC4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
SMILESO=C1COc2cc3ncc(=O)[nH]c3cc2N1
InChIInChI=1S/C10H7N3O3/c14-9-3-11-5-2-8-7(1-6(5)12-9)13-10(15)4-16-8/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyFKNVPUMXKPZFDS-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.25
Rot. Bonds

About 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione

4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione (PubChem CID 90860605) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione.

Molecular Properties

Compound Name4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
PubChem CID90860605
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
SMILESO=C1COc2cc3ncc(=O)[nH]c3cc2N1
InChIInChI=1S/C10H7N3O3/c14-9-3-11-5-2-8-7(1-6(5)12-9)13-10(15)4-16-8/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyFKNVPUMXKPZFDS-UHFFFAOYSA-N
XLogP0.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 140823667
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
6-[(E)-2-(6-oxo-1H-pyrimidin-2-yl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 100638920
6-chloro-7-iodo-1H-quinoxalin-2-one
CID 167236785
9-methyl-7-(1,3-thiazol-4-yl)-1H-pyrido[3,2-g][1,4]benzoxazin-2-one
CID 169416854
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione?
The IUPAC name of 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione (CID 90860605) is 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione.
What is the SMILES notation for 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione?
The canonical SMILES for 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione is O=C1COc2cc3ncc(=O)[nH]c3cc2N1.
What is the InChIKey of 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione?
The InChIKey is FKNVPUMXKPZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-9-3-11-5-2-8-7(1-6(5)12-9)13-10(15)4-16-8/h1-3H,4H2,(H,12,14)(H,13,15).
What are the key properties of 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione?
4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione has a molecular weight of 217.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione is sourced from PubChem (CID 90860605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).