6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CAS No.：
Cat. No.: SC23324
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Product Name :6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
Cat. No.: :SC23324
Purity / Specification :—
CAS No. :1378482-27-9
MDL No. :MFCD11847685
Molecular Formula :C6H5ClN4
LogP :1.50
Molecular Weight :168.58
TPSA :56.2
Category :Building Blocks
HSN Code :—
SMILES Code :Nc1nnc2ccc(Cl)cn12
Melting Point :—
InChI Key : :ARWKEXIWIQDXOG-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✓ 168.6 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 56.2Ų · 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.