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

C15H27N3O6 — CID 22712648

IUPAC2,4,6-tris(butylperoxy)-1,3,5-triazine
SMILESCCCCOOc1nc(OOCCCC)nc(OOCCCC)n1
InChIInChI=1S/C15H27N3O6/c1-4-7-10-19-22-13-16-14(23-20-11-8-5-2)18-15(17-13)24-21-12-9-6-3/h4-12H2,1-3H3
InChIKeyBHESKSMHICVZSV-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.20
Rot. Bonds15

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

2,4,6-tris(butylperoxy)-1,3,5-triazine (PubChem CID 22712648) has the molecular formula C15H27N3O6 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,4,6-tris(butylperoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(butylperoxy)-1,3,5-triazine
PubChem CID22712648
Molecular FormulaC15H27N3O6
Molecular Weight345.40 g/mol
Exact Mass345.19
IUPAC Name2,4,6-tris(butylperoxy)-1,3,5-triazine
SMILESCCCCOOc1nc(OOCCCC)nc(OOCCCC)n1
InChIInChI=1S/C15H27N3O6/c1-4-7-10-19-22-13-16-14(23-20-11-8-5-2)18-15(17-13)24-21-12-9-6-3/h4-12H2,1-3H3
InChIKeyBHESKSMHICVZSV-UHFFFAOYSA-N
XLogP3.20
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,4,6-tris(butylperoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2,4-Bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
CID 12735844
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tri(propan-2-yloxy)-1,3,5-triazine
CID 34531
2,4,6-Tris(2-methylpropoxy)-1,3,5-triazine
CID 35675
2,4,6-Tris(2-methoxyethoxy)-1,3,5-triazine
CID 132523931
2,4,6-Tri(butan-2-yloxy)-1,3,5-triazine
CID 139880843
2,4-Dibutoxy-6-fluoro-1,3,5-triazine
CID 121218515
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
CID 18369697

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(butylperoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(butylperoxy)-1,3,5-triazine (CID 22712648) is 2,4,6-tris(butylperoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(butylperoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(butylperoxy)-1,3,5-triazine is CCCCOOc1nc(OOCCCC)nc(OOCCCC)n1.
What is the InChIKey of 2,4,6-tris(butylperoxy)-1,3,5-triazine?
The InChIKey is BHESKSMHICVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O6/c1-4-7-10-19-22-13-16-14(23-20-11-8-5-2)18-15(17-13)24-21-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of 2,4,6-tris(butylperoxy)-1,3,5-triazine?
2,4,6-tris(butylperoxy)-1,3,5-triazine has a molecular weight of 345.40 g/mol, XLogP of 3.20, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(butylperoxy)-1,3,5-triazine is sourced from PubChem (CID 22712648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).