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

C12H17N3O3 — CID 54447809

IUPAC2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine
SMILESCC=CCOc1nc(OC)nc(OCC=CC)n1
InChIInChI=1S/C12H17N3O3/c1-4-6-8-17-11-13-10(16-3)14-12(15-11)18-9-7-5-2/h4-7H,8-9H2,1-3H3
InChIKeyWSUBRQMGUBLTNI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds7

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

2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine (PubChem CID 54447809) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine
PubChem CID54447809
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine
SMILESCC=CCOc1nc(OC)nc(OCC=CC)n1
InChIInChI=1S/C12H17N3O3/c1-4-6-8-17-11-13-10(16-3)14-12(15-11)18-9-7-5-2/h4-7H,8-9H2,1-3H3
InChIKeyWSUBRQMGUBLTNI-UHFFFAOYSA-N
XLogP1.79
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triallyl cyanurate
CID 7555
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
2,4,6-Tris[(2-methyl-2-propen-1-yl)oxy]-1,3,5-triazine
CID 13761104
2,4-Diallyloxy-6-t-butylperoxy-1,3,5-triazine
CID 20029046
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2,4-Bis(prop-2-enoxy)-6-prop-2-ynoxy-1,3,5-triazine
CID 20188882
2-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-prop-2-enoxy-6-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
CID 58813220
2-Chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
CID 10355128

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine (CID 54447809) is 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine is CC=CCOc1nc(OC)nc(OCC=CC)n1.
What is the InChIKey of 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is WSUBRQMGUBLTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-6-8-17-11-13-10(16-3)14-12(15-11)18-9-7-5-2/h4-7H,8-9H2,1-3H3.
What are the key properties of 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine?
2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 251.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(but-2-enoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 54447809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).