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

C12H11N3O3 — CID 54568099

IUPAC2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(OCC#C)nc(OCC=C)n1
InChIInChI=1S/C12H11N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-2,6H,3,7-9H2
InChIKeyZVGUPPZSMYESCY-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.46
Rot. Bonds7

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

2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine (PubChem CID 54568099) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
PubChem CID54568099
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(OCC#C)nc(OCC=C)n1
InChIInChI=1S/C12H11N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-2,6H,3,7-9H2
InChIKeyZVGUPPZSMYESCY-UHFFFAOYSA-N
XLogP0.46
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The IUPAC name of 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine (CID 54568099) is 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine.
What is the SMILES notation for 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The canonical SMILES for 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine is C#CCOc1nc(OCC#C)nc(OCC=C)n1.
What is the InChIKey of 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The InChIKey is ZVGUPPZSMYESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-2,6H,3,7-9H2.
What are the key properties of 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine has a molecular weight of 245.24 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine is sourced from PubChem (CID 54568099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).