2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C11H15N3O3 — CID 22628792

IUPAC2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC)nc(OCC=C)n1
InChIInChI=1S/C11H15N3O3/c1-4-7-16-10-12-9(15-6-3)13-11(14-10)17-8-5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyUGCITSZYSUPCHJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.40
Rot. Bonds8

About 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 22628792) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
PubChem CID22628792
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC)nc(OCC=C)n1
InChIInChI=1S/C11H15N3O3/c1-4-7-16-10-12-9(15-6-3)13-11(14-10)17-8-5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyUGCITSZYSUPCHJ-UHFFFAOYSA-N
XLogP1.40
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 22628792) is 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC)nc(OCC=C)n1.
What is the InChIKey of 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is UGCITSZYSUPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-7-16-10-12-9(15-6-3)13-11(14-10)17-8-5-2/h4-5H,1-2,6-8H2,3H3.
What are the key properties of 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 237.26 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 22628792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).