2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine

C7H9Cl2N3O2 — CID 119092961

IUPAC2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)OOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3
InChIKeyAGXAEYRVUBIPQK-UHFFFAOYSA-N
MW238.07 g/mol
LogP2.29
Rot. Bonds2

About 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine

2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine (PubChem CID 119092961) has the molecular formula C7H9Cl2N3O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine
PubChem CID119092961
Molecular FormulaC7H9Cl2N3O2
Molecular Weight238.07 g/mol
Exact Mass237.01
IUPAC Name2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine
SMILESCC(C)(C)OOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3
InChIKeyAGXAEYRVUBIPQK-UHFFFAOYSA-N
XLogP2.29
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(tert-Butyldioxy)-4,6-dimethoxy-1,3,5-triazine
CID 92682
2,4,6-Tris(tert-butylperoxy)-1,3,5-triazine
CID 2734923
2-(Tert-butoxy)-4,6-dichloro-1,3,5-triazine
CID 20145663
2,4-Bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
CID 54303777
2,4,6-Tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
CID 54561834
4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 138469020
2-Chloro-4-methoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
CID 62858133
2-Chloro-4-methoxy-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
CID 62858135
2,4-Dichloro-6-(2-methylbutan-2-yloxy)-1,3,5-triazine
CID 62859250
2-Chloro-4-ethoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
CID 62859546

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine (CID 119092961) is 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine is CC(C)(C)OOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine?
The InChIKey is AGXAEYRVUBIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3.
What are the key properties of 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine?
2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine has a molecular weight of 238.07 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 119092961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).