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

C9H15N3O6 — CID 22019897

IUPAC2,4,6-tris(ethylperoxy)-1,3,5-triazine
SMILESCCOOc1nc(OOCC)nc(OOCC)n1
InChIInChI=1S/C9H15N3O6/c1-4-13-16-7-10-8(17-14-5-2)12-9(11-7)18-15-6-3/h4-6H2,1-3H3
InChIKeyXGXYKGXAPOJSIQ-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.86
Rot. Bonds9

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

2,4,6-tris(ethylperoxy)-1,3,5-triazine (PubChem CID 22019897) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2,4,6-tris(ethylperoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(ethylperoxy)-1,3,5-triazine
PubChem CID22019897
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name2,4,6-tris(ethylperoxy)-1,3,5-triazine
SMILESCCOOc1nc(OOCC)nc(OOCC)n1
InChIInChI=1S/C9H15N3O6/c1-4-13-16-7-10-8(17-14-5-2)12-9(11-7)18-15-6-3/h4-6H2,1-3H3
InChIKeyXGXYKGXAPOJSIQ-UHFFFAOYSA-N
XLogP0.86
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2-(tert-Butyldioxy)-4,6-dimethoxy-1,3,5-triazine
CID 92682
2,4-Bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
CID 12735844
2-Chloro-4,6-di-(2-methoxyethoxy)-1,3,5-triazine
CID 85702124
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tris(2-methoxyethoxy)-1,3,5-triazine
CID 132523931
2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
CID 18369697
2,4,6-Tris(butylperoxy)-1,3,5-triazine
CID 22712648
Potassium 4,6-diethoxy-1,3,5-triazin-2-olate
CID 23671962
Potassium 4,6-dipropoxy-1,3,5-triazin-2-olate
CID 23671964
2,4-Bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
CID 54303777
2-Butoxy-4,6-dimethoxy-1,3,5-triazine
CID 89584636

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(ethylperoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(ethylperoxy)-1,3,5-triazine (CID 22019897) is 2,4,6-tris(ethylperoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(ethylperoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(ethylperoxy)-1,3,5-triazine is CCOOc1nc(OOCC)nc(OOCC)n1.
What is the InChIKey of 2,4,6-tris(ethylperoxy)-1,3,5-triazine?
The InChIKey is XGXYKGXAPOJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6/c1-4-13-16-7-10-8(17-14-5-2)12-9(11-7)18-15-6-3/h4-6H2,1-3H3.
What are the key properties of 2,4,6-tris(ethylperoxy)-1,3,5-triazine?
2,4,6-tris(ethylperoxy)-1,3,5-triazine has a molecular weight of 261.23 g/mol, XLogP of 0.86, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(ethylperoxy)-1,3,5-triazine is sourced from PubChem (CID 22019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).