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

C15H21N3O3 — CID 142394350

IUPAC2,4,6-tris(but-3-enoxy)-1,3,5-triazine
SMILESC=CCCOc1nc(OCCC=C)nc(OCCC=C)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/h4-6H,1-3,7-12H2
InChIKeyQYKJKIHHNGZJLE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.74
Rot. Bonds12

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

2,4,6-tris(but-3-enoxy)-1,3,5-triazine (PubChem CID 142394350) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,4,6-tris(but-3-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(but-3-enoxy)-1,3,5-triazine
PubChem CID142394350
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2,4,6-tris(but-3-enoxy)-1,3,5-triazine
SMILESC=CCCOc1nc(OCCC=C)nc(OCCC=C)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/h4-6H,1-3,7-12H2
InChIKeyQYKJKIHHNGZJLE-UHFFFAOYSA-N
XLogP2.74
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triallyl cyanurate
CID 7555
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2-But-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 163878982
2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
CID 21225420
2,4-Diethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 21489715
2,4-Bis(but-3-enoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 21872119
2-Ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 22628792
2,4,6-Tris(pent-1-enoxy)-1,3,5-triazine
CID 54157008
2,4,6-Tris(prop-1-enoxy)-1,3,5-triazine
CID 54557391
2,4-Bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
CID 59087621
2-But-3-enoxy-4,6-dichloro-1,3,5-triazine
CID 62859572

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(but-3-enoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(but-3-enoxy)-1,3,5-triazine (CID 142394350) is 2,4,6-tris(but-3-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(but-3-enoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(but-3-enoxy)-1,3,5-triazine is C=CCCOc1nc(OCCC=C)nc(OCCC=C)n1.
What is the InChIKey of 2,4,6-tris(but-3-enoxy)-1,3,5-triazine?
The InChIKey is QYKJKIHHNGZJLE-UHFFFAOYSA-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/h4-6H,1-3,7-12H2.
What are the key properties of 2,4,6-tris(but-3-enoxy)-1,3,5-triazine?
2,4,6-tris(but-3-enoxy)-1,3,5-triazine has a molecular weight of 291.35 g/mol, XLogP of 2.74, 12 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-3-enoxy)-1,3,5-triazine is sourced from PubChem (CID 142394350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).