2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

C20H26N6O6 — CID 160700719

About 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (PubChem CID 160700719) has the molecular formula C20H26N6O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
• PubChem CID: 160700719
• Molecular Formula: C20H26N6O6
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.19
• IUPAC Name: 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
• SMILES: C=CCOc1nc(OC)nc(OC)n1.C=CCOc1nc(OCC=C)nc(OCC=C)n1
• InChI: InChI=1S/C12H15N3O3.C8H11N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;1-4-5-14-8-10-6(12-2)9-7(11-8)13-3/h4-6H,1-3,7-9H2;4H,1,5H2,2-3H3
• InChIKey: RQOQUXRDKMZKDO-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?

The IUPAC name of 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine (CID 160700719) is 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine.

What is the SMILES notation for 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?

The canonical SMILES for 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OC)nc(OC)n1.C=CCOc1nc(OCC=C)nc(OCC=C)n1.

What is the InChIKey of 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?

The InChIKey is RQOQUXRDKMZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C8H11N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;1-4-5-14-8-10-6(12-2)9-7(11-8)13-3/h4-6H,1-3,7-9H2;4H,1,5H2,2-3H3.

What are the key properties of 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine?

2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 446.46 g/mol, XLogP of 2.02, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-6-prop-2-enoxy-1,3,5-triazine;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 160700719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).