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

C11H9N3O3 — CID 70395862

IUPAC6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(OC=Cc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c15-9-12-10(16)14-11(13-9)17-7-6-8-4-2-1-3-5-8/h1-7H,(H2,12,13,14,15,16)
InChIKeyWBCGVQNUPSSKLR-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.51
Rot. Bonds3

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

6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione (PubChem CID 70395862) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione
PubChem CID70395862
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(OC=Cc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9N3O3/c15-9-12-10(16)14-11(13-9)17-7-6-8-4-2-1-3-5-8/h1-7H,(H2,12,13,14,15,16)
InChIKeyWBCGVQNUPSSKLR-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione (CID 70395862) is 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione is O=c1nc(OC=Cc2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is WBCGVQNUPSSKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-12-10(16)14-11(13-9)17-7-6-8-4-2-1-3-5-8/h1-7H,(H2,12,13,14,15,16).
What are the key properties of 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione?
6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 231.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 70395862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).