6,7-diaminoquinoxaline-2,3-dione;dihydrochloride

C8H8Cl2N4O2 — CID 53435400

IUPAC6,7-diaminoquinoxaline-2,3-dione;dihydrochloride
SMILESCl.Cl.Nc1cc2c(cc1N)=NC(=O)C(=O)N=2
InChIInChI=1S/C8H6N4O2.2ClH/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;;/h1-2H,9-10H2;2*1H
InChIKeyWPYRAKVNPXHFKQ-UHFFFAOYSA-N
MW263.08 g/mol
LogP-1.00
Rot. Bonds

About 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride

6,7-diaminoquinoxaline-2,3-dione;dihydrochloride (PubChem CID 53435400) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride.

Molecular Properties

Compound Name6,7-diaminoquinoxaline-2,3-dione;dihydrochloride
PubChem CID53435400
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Name6,7-diaminoquinoxaline-2,3-dione;dihydrochloride
SMILESCl.Cl.Nc1cc2c(cc1N)=NC(=O)C(=O)N=2
InChIInChI=1S/C8H6N4O2.2ClH/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;;/h1-2H,9-10H2;2*1H
InChIKeyWPYRAKVNPXHFKQ-UHFFFAOYSA-N
XLogP-1.00
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride?
The IUPAC name of 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride (CID 53435400) is 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride.
What is the SMILES notation for 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride?
The canonical SMILES for 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride is Cl.Cl.Nc1cc2c(cc1N)=NC(=O)C(=O)N=2.
What is the InChIKey of 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride?
The InChIKey is WPYRAKVNPXHFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2.2ClH/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;;/h1-2H,9-10H2;2*1H.
What are the key properties of 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride?
6,7-diaminoquinoxaline-2,3-dione;dihydrochloride has a molecular weight of 263.08 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diaminoquinoxaline-2,3-dione;dihydrochloride is sourced from PubChem (CID 53435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).