2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine

C10H10N4S2 — CID 24844153

IUPAC2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine
SMILESc1cnc(CSSCc2cnccn2)cn1
InChIInChI=1S/C10H10N4S2/c1-3-13-9(5-11-1)7-15-16-8-10-6-12-2-4-14-10/h1-6H,7-8H2
InChIKeyUCVALZBENNBIBZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.35
Rot. Bonds5

About 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine

2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine (PubChem CID 24844153) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine.

Molecular Properties

Compound Name2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine
PubChem CID24844153
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine
SMILESc1cnc(CSSCc2cnccn2)cn1
InChIInChI=1S/C10H10N4S2/c1-3-13-9(5-11-1)7-15-16-8-10-6-12-2-4-14-10/h1-6H,7-8H2
InChIKeyUCVALZBENNBIBZ-UHFFFAOYSA-N
XLogP2.35
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine?
The IUPAC name of 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine (CID 24844153) is 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine.
What is the SMILES notation for 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine?
The canonical SMILES for 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine is c1cnc(CSSCc2cnccn2)cn1.
What is the InChIKey of 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine?
The InChIKey is UCVALZBENNBIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-3-13-9(5-11-1)7-15-16-8-10-6-12-2-4-14-10/h1-6H,7-8H2.
What are the key properties of 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine?
2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyrazin-2-ylmethyldisulfanyl)methyl]pyrazine is sourced from PubChem (CID 24844153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).