6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione

Name: 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₉N₃O₃ — CID 56983272

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione

SMILESC=Cc1ccc(Oc2nc(=O)[nH]c(=O)[nH]2)cc1

InChIInChI=1S/C11H9N3O3/c1-2-7-3-5-8(6-4-7)17-11-13-9(15)12-10(16)14-11/h2-6H,1H2,(H2,12,13,14,15,16)

InChIKeyMHTPQPJJBFRPTO-UHFFFAOYSA-N

MW231.21 g/mol

LogP0.89

Rot. Bonds3

About 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione

6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione (PubChem CID 56983272) has the molecular formula C₁₁H₉N₃O₃ and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name	6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione
PubChem CID	56983272
Molecular Formula	C₁₁H₉N₃O₃
Molecular Weight	231.21 g/mol
Exact Mass	231.06
IUPAC Name	6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione
SMILES	C=Cc1ccc(Oc2nc(=O)[nH]c(=O)[nH]2)cc1
InChI	InChI=1S/C11H9N3O3/c1-2-7-3-5-8(6-4-7)17-11-13-9(15)12-10(16)14-11/h2-6H,1H2,(H2,12,13,14,15,16)
InChIKey	MHTPQPJJBFRPTO-UHFFFAOYSA-N
XLogP	0.89
TPSA	87.84 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.21
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione?

The IUPAC name of 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione (CID 56983272) is 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione.

What is the SMILES notation for 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione?

The canonical SMILES for 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione is C=Cc1ccc(Oc2nc(=O)[nH]c(=O)[nH]2)cc1.

What is the InChIKey of 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione?

The InChIKey is MHTPQPJJBFRPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-2-7-3-5-8(6-4-7)17-11-13-9(15)12-10(16)14-11/h2-6H,1H2,(H2,12,13,14,15,16).

What are the key properties of 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione?

6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 231.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 56983272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 56983272 — identifiers, structure, computed properties (public domain)

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