Triamterene

C₁₂H₁₁N₇ — CID 5546

About Triamterene

Triamterene (PubChem CID 5546) has the molecular formula C₁₂H₁₁N₇ and a molecular weight of 253.27 g/mol. Its IUPAC name is 6-phenylpteridine-2,4,7-triamine.

Molecular Properties

• Compound Name: Triamterene
• PubChem CID: 5546
• Molecular Formula: C₁₂H₁₁N₇
• Molecular Weight: 253.27 g/mol
• Exact Mass: 253.11
• IUPAC Name: 6-phenylpteridine-2,4,7-triamine
• SMILES: Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
• InChI: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
• InChIKey: FNYLWPVRPXGIIP-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 129.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.27
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Triamterene?

The IUPAC name of Triamterene (CID 5546) is 6-phenylpteridine-2,4,7-triamine.

What is the SMILES notation for Triamterene?

The canonical SMILES for Triamterene is Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1.

What is the InChIKey of Triamterene?

The InChIKey is FNYLWPVRPXGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19).

What are the key properties of Triamterene?

Triamterene has a molecular weight of 253.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Triamterene is sourced from PubChem (CID 5546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5546 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2728 — approved-drug record (CC BY-SA 4.0)

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