2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine

C15H21N3O3 — CID 139978657

IUPAC2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine
SMILESCC/C=C/Oc1nc(O/C=C/CC)nc(O/C=C/CC)n1
InChIInChI=1S/C15H21N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyXPBNEIWCWOSLPX-SRDSWEMOSA-N
MW291.35 g/mol
LogP3.78
Rot. Bonds9

About 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine

2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine (PubChem CID 139978657) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine
PubChem CID139978657
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine
SMILESCC/C=C/Oc1nc(O/C=C/CC)nc(O/C=C/CC)n1
InChIInChI=1S/C15H21N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyXPBNEIWCWOSLPX-SRDSWEMOSA-N
XLogP3.78
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine (CID 139978657) is 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine is CC/C=C/Oc1nc(O/C=C/CC)nc(O/C=C/CC)n1.
What is the InChIKey of 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine?
The InChIKey is XPBNEIWCWOSLPX-SRDSWEMOSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h7-12H,4-6H2,1-3H3/b10-7+,11-8+,12-9+.
What are the key properties of 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine?
2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine has a molecular weight of 291.35 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine is sourced from PubChem (CID 139978657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).