Metformin

C₄H₁₁N₅ — CID 4091

About Metformin

Metformin (PubChem CID 4091) has the molecular formula C₄H₁₁N₅ and a molecular weight of 129.17 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dimethylguanidine.

Molecular Properties

• Compound Name: Metformin
• PubChem CID: 4091
• Molecular Formula: C₄H₁₁N₅
• Molecular Weight: 129.17 g/mol
• Exact Mass: 129.10
• IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine
• SMILES: [H]/N=C(/N=C(N)N)N(C)C
• InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
• InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
• XLogP: -1.24
• TPSA: 91.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	129.17
LogP ≤ 5	-1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Metformin?

The IUPAC name of Metformin (CID 4091) is 3-(diaminomethylidene)-1,1-dimethylguanidine.

What is the SMILES notation for Metformin?

The canonical SMILES for Metformin is [H]/N=C(/N=C(N)N)N(C)C.

What is the InChIKey of Metformin?

The InChIKey is XZWYZXLIPXDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8).

What are the key properties of Metformin?

Metformin has a molecular weight of 129.17 g/mol, XLogP of -1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Metformin is sourced from PubChem (CID 4091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4091 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1725 — approved-drug record (CC BY-SA 4.0)

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