2,4,6-tris(but-2-ynoxy)-1,3,5-triazine

C15H15N3O3 — CID 57373104

IUPAC2,4,6-tris(but-2-ynoxy)-1,3,5-triazine
SMILESCC#CCOc1nc(OCC#CC)nc(OCC#CC)n1
InChIInChI=1S/C15H15N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h10-12H2,1-3H3
InChIKeyRYECOFPITVCXSL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.08
Rot. Bonds6

About 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine

2,4,6-tris(but-2-ynoxy)-1,3,5-triazine (PubChem CID 57373104) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(but-2-ynoxy)-1,3,5-triazine
PubChem CID57373104
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2,4,6-tris(but-2-ynoxy)-1,3,5-triazine
SMILESCC#CCOc1nc(OCC#CC)nc(OCC#CC)n1
InChIInChI=1S/C15H15N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h10-12H2,1-3H3
InChIKeyRYECOFPITVCXSL-UHFFFAOYSA-N
XLogP1.08
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine (CID 57373104) is 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine is CC#CCOc1nc(OCC#CC)nc(OCC#CC)n1.
What is the InChIKey of 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine?
The InChIKey is RYECOFPITVCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h10-12H2,1-3H3.
What are the key properties of 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine?
2,4,6-tris(but-2-ynoxy)-1,3,5-triazine has a molecular weight of 285.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(but-2-ynoxy)-1,3,5-triazine is sourced from PubChem (CID 57373104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).