2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol

C11H15N3O4 — CID 19894488

IUPAC2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESC=CCOc1nc(OCC=C)nc(OCCO)n1
InChIInChI=1S/C11H15N3O4/c1-3-6-16-9-12-10(17-7-4-2)14-11(13-9)18-8-5-15/h3-4,15H,1-2,5-8H2
InChIKeyCEDLZKJGQITAFT-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.37
Rot. Bonds9

About 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 19894488) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID19894488
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESC=CCOc1nc(OCC=C)nc(OCCO)n1
InChIInChI=1S/C11H15N3O4/c1-3-6-16-9-12-10(17-7-4-2)14-11(13-9)18-8-5-15/h3-4,15H,1-2,5-8H2
InChIKeyCEDLZKJGQITAFT-UHFFFAOYSA-N
XLogP0.37
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol (CID 19894488) is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol is C=CCOc1nc(OCC=C)nc(OCCO)n1.
What is the InChIKey of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The InChIKey is CEDLZKJGQITAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-6-16-9-12-10(17-7-4-2)14-11(13-9)18-8-5-15/h3-4,15H,1-2,5-8H2.
What are the key properties of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 253.26 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol is sourced from PubChem (CID 19894488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).