2-(trisulfanyl)imidazo[1,2-a]pyrazine

C6H5N3S3 — CID 123991666

IUPAC2-(trisulfanyl)imidazo[1,2-a]pyrazine
SMILESSSSc1cn2ccncc2n1
InChIInChI=1S/C6H5N3S3/c10-12-11-6-4-9-2-1-7-3-5(9)8-6/h1-4,10H
InChIKeyNCRGIPHABQWZFD-UHFFFAOYSA-N
MW215.33 g/mol
LogP2.31
Rot. Bonds2

About 2-(trisulfanyl)imidazo[1,2-a]pyrazine

2-(trisulfanyl)imidazo[1,2-a]pyrazine (PubChem CID 123991666) has the molecular formula C6H5N3S3 and a molecular weight of 215.33 g/mol. Its IUPAC name is 2-(trisulfanyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(trisulfanyl)imidazo[1,2-a]pyrazine
PubChem CID123991666
Molecular FormulaC6H5N3S3
Molecular Weight215.33 g/mol
Exact Mass214.96
IUPAC Name2-(trisulfanyl)imidazo[1,2-a]pyrazine
SMILESSSSc1cn2ccncc2n1
InChIInChI=1S/C6H5N3S3/c10-12-11-6-4-9-2-1-7-3-5(9)8-6/h1-4,10H
InChIKeyNCRGIPHABQWZFD-UHFFFAOYSA-N
XLogP2.31
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(trisulfanyl)imidazo[1,2-a]pyrazine 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-(trisulfanyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(trisulfanyl)imidazo[1,2-a]pyrazine (CID 123991666) is 2-(trisulfanyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(trisulfanyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(trisulfanyl)imidazo[1,2-a]pyrazine is SSSc1cn2ccncc2n1.
What is the InChIKey of 2-(trisulfanyl)imidazo[1,2-a]pyrazine?
The InChIKey is NCRGIPHABQWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S3/c10-12-11-6-4-9-2-1-7-3-5(9)8-6/h1-4,10H.
What are the key properties of 2-(trisulfanyl)imidazo[1,2-a]pyrazine?
2-(trisulfanyl)imidazo[1,2-a]pyrazine has a molecular weight of 215.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trisulfanyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 123991666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).