Symclosene

C₃Cl₃N₃O₃ — CID 6909

About Symclosene

Symclosene (PubChem CID 6909) has the molecular formula C₃Cl₃N₃O₃ and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: Symclosene
• PubChem CID: 6909
• Molecular Formula: C₃Cl₃N₃O₃
• Molecular Weight: 232.41 g/mol
• Exact Mass: 230.90
• IUPAC Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
• SMILES: O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl
• InChI: InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
• InChIKey: YRIZYWQGELRKNT-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 66.00 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.41
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Symclosene?

The IUPAC name of Symclosene (CID 6909) is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for Symclosene?

The canonical SMILES for Symclosene is O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl.

What is the InChIKey of Symclosene?

The InChIKey is YRIZYWQGELRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11.

What are the key properties of Symclosene?

Symclosene has a molecular weight of 232.41 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Symclosene is sourced from PubChem (CID 6909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6909 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3629 — approved-drug record (CC BY-SA 4.0)

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