6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione

C8H4N4O2S — CID 135400464

IUPAC6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione
SMILESO=c1[nH]c2ccc3nsnc3c2[nH]c1=O
InChIInChI=1S/C8H4N4O2S/c13-7-8(14)10-5-3(9-7)1-2-4-6(5)12-15-11-4/h1-2H,(H,9,13)(H,10,14)
InChIKeyLBHJHPKAXIICGU-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.22
Rot. Bonds

About 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione

6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione (PubChem CID 135400464) has the molecular formula C8H4N4O2S and a molecular weight of 220.21 g/mol. Its IUPAC name is 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione.

Molecular Properties

Compound Name6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione
PubChem CID135400464
Molecular FormulaC8H4N4O2S
Molecular Weight220.21 g/mol
Exact Mass220.01
IUPAC Name6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione
SMILESO=c1[nH]c2ccc3nsnc3c2[nH]c1=O
InChIInChI=1S/C8H4N4O2S/c13-7-8(14)10-5-3(9-7)1-2-4-6(5)12-15-11-4/h1-2H,(H,9,13)(H,10,14)
InChIKeyLBHJHPKAXIICGU-UHFFFAOYSA-N
XLogP0.22
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione?
The IUPAC name of 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione (CID 135400464) is 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione.
What is the SMILES notation for 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione?
The canonical SMILES for 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione is O=c1[nH]c2ccc3nsnc3c2[nH]c1=O.
What is the InChIKey of 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione?
The InChIKey is LBHJHPKAXIICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2S/c13-7-8(14)10-5-3(9-7)1-2-4-6(5)12-15-11-4/h1-2H,(H,9,13)(H,10,14).
What are the key properties of 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione?
6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione has a molecular weight of 220.21 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydro-[1,2,5]thiadiazolo[3,4-f]quinoxaline-7,8-dione is sourced from PubChem (CID 135400464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).