Pyrazine-2,5-dicarbonitrile
CAS No.：
Cat. No.: SC24690
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Product Name :Pyrazine-2,5-dicarbonitrile
Cat. No.: :SC24690
Purity / Specification :—
CAS No. :31722-48-2
MDL No. :MFCD15144323
Molecular Formula :C6H2N4
LogP :0.22
Molecular Weight :130.11
TPSA :73.4
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1cnc(C#N)cn1
Melting Point :—
InChI Key : :JVOPXXDHVVCVIJ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 130.1 Da
LogP ≤ 5✓ 0.22
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i0.22log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 73.4Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.