5-aminoquinoxaline-2,3-dione

C8H5N3O2 — CID 22097109

IUPAC5-aminoquinoxaline-2,3-dione
SMILESNc1cccc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C8H5N3O2/c9-4-2-1-3-5-6(4)11-8(13)7(12)10-5/h1-3H,9H2
InChIKeyBGOYUCRRCAOJBY-UHFFFAOYSA-N
MW175.15 g/mol
LogP-1.43
Rot. Bonds

About 5-aminoquinoxaline-2,3-dione

5-aminoquinoxaline-2,3-dione (PubChem CID 22097109) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-aminoquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-aminoquinoxaline-2,3-dione
PubChem CID22097109
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name5-aminoquinoxaline-2,3-dione
SMILESNc1cccc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C8H5N3O2/c9-4-2-1-3-5-6(4)11-8(13)7(12)10-5/h1-3H,9H2
InChIKeyBGOYUCRRCAOJBY-UHFFFAOYSA-N
XLogP-1.43
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminoquinoxaline-2,3-dione?
The IUPAC name of 5-aminoquinoxaline-2,3-dione (CID 22097109) is 5-aminoquinoxaline-2,3-dione.
What is the SMILES notation for 5-aminoquinoxaline-2,3-dione?
The canonical SMILES for 5-aminoquinoxaline-2,3-dione is Nc1cccc2c1=NC(=O)C(=O)N=2.
What is the InChIKey of 5-aminoquinoxaline-2,3-dione?
The InChIKey is BGOYUCRRCAOJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c9-4-2-1-3-5-6(4)11-8(13)7(12)10-5/h1-3H,9H2.
What are the key properties of 5-aminoquinoxaline-2,3-dione?
5-aminoquinoxaline-2,3-dione has a molecular weight of 175.15 g/mol, XLogP of -1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoquinoxaline-2,3-dione is sourced from PubChem (CID 22097109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).