2-(5-methyltetrazol-1-yl)acetic acid

CAS No.：

Cat. No.: SC24736

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Product Name :2-(5-methyltetrazol-1-yl)acetic acid

Cat. No.: :SC24736

Purity / Specification :—

CAS No. :21743-55-5

MDL No. :—

Molecular Formula :C₄H₆N₄O₂

LogP :-0.30

Molecular Weight :142.12

TPSA :80.9

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1nnnn1CC(=O)O

Melting Point :—

InChI Key : :QMGRTPHVXPNNBK-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✓ 142.1 Da

LogP ≤ 5✓ -0.30

HBD ≤ 5✓ 1

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

57/100

Moderate — typical building block

Predicted LogP

-0.30log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 80.9Å² · 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.