2-methyltriazol-4-amine

CAS No.：

Cat. No.: SC24764

Available on Request

Price on Request

Bulk Inquiry

Product Name :2-methyltriazol-4-amine

Cat. No.: :SC24764

Purity / Specification :—

CAS No. :936940-63-5

MDL No. :MFCD09971162

Molecular Formula :C₃H₆N₄

LogP :-0.10

Molecular Weight :98.11

TPSA :56.7

Category :Building Blocks

HSN Code :—

SMILES Code :Cn1ncc(N)n1

Melting Point :—

InChI Key : :LJTBHMBVLJIZJE-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 98.1 Da

LogP ≤ 5✓ -0.10

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

55/100

Moderate — typical building block

Predicted LogP

-0.10log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 56.7Å² · 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.