5,6-diamino-1,4-dihydroquinoxaline-2,3-dione

C8H8N4O2 — CID 19915787

IUPAC5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1ccc2[nH]c(=O)c(=O)[nH]c2c1N
InChIInChI=1S/C8H8N4O2/c9-3-1-2-4-6(5(3)10)12-8(14)7(13)11-4/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKeyHLSFOMUNDVNCDM-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.62
Rot. Bonds

About 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione

5,6-diamino-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 19915787) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
PubChem CID19915787
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
SMILESNc1ccc2[nH]c(=O)c(=O)[nH]c2c1N
InChIInChI=1S/C8H8N4O2/c9-3-1-2-4-6(5(3)10)12-8(14)7(13)11-4/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKeyHLSFOMUNDVNCDM-UHFFFAOYSA-N
XLogP-0.62
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
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 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione (CID 19915787) is 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione is Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1N.
What is the InChIKey of 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is HLSFOMUNDVNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-3-1-2-4-6(5(3)10)12-8(14)7(13)11-4/h1-2H,9-10H2,(H,11,13)(H,12,14).
What are the key properties of 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione?
5,6-diamino-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 192.18 g/mol, XLogP of -0.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 19915787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).