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

C11H9N3O3 — CID 56983272

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 Name6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione
PubChem CID56983272
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(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
XLogP0.89
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).