2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione

C9H6N4S2 — CID 5300057

IUPAC2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione
SMILESS=c1[nH]c2ccccc2n2c(=S)[nH]nc12
InChIInChI=1S/C9H6N4S2/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
InChIKeyFYTBEPMFYXFJKF-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.60
Rot. Bonds

About 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione

2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione (PubChem CID 5300057) has the molecular formula C9H6N4S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione.

Molecular Properties

Compound Name2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione
PubChem CID5300057
Molecular FormulaC9H6N4S2
Molecular Weight234.31 g/mol
Exact Mass234.00
IUPAC Name2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione
SMILESS=c1[nH]c2ccccc2n2c(=S)[nH]nc12
InChIInChI=1S/C9H6N4S2/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
InChIKeyFYTBEPMFYXFJKF-UHFFFAOYSA-N
XLogP2.60
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione?
The IUPAC name of 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione (CID 5300057) is 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione.
What is the SMILES notation for 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione?
The canonical SMILES for 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione is S=c1[nH]c2ccccc2n2c(=S)[nH]nc12.
What is the InChIKey of 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione?
The InChIKey is FYTBEPMFYXFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S2/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15).
What are the key properties of 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione?
2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione has a molecular weight of 234.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dithione is sourced from PubChem (CID 5300057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).