5-hydroxy-1H-pyrazin-2-one
CAS No.：
Cat. No.: SC24691
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Product Name :5-hydroxy-1H-pyrazin-2-one
Cat. No.: :SC24691
Purity / Specification :—
CAS No. :134434-28-9
MDL No. :—
Molecular Formula :C4H4N2O2
LogP :-0.90
Molecular Weight :112.09
TPSA :61.7
Category :Building Blocks
HSN Code :—
SMILES Code :Oc1cnc(O)cn1
Melting Point :—
InChI Key : :USHRADXTTYICIJ-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✓ 112.1 Da
LogP ≤ 5✓ -0.90
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i50/100
Fragment / low drug-likeness
Predicted LogP
i-0.90log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 61.7Ų · 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.