1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione

C24H21N3O3 — CID 11805

IUPAC1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyPIBKGXNSYQOGKL-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.32
Rot. Bonds6

About 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione

1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 11805) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione
PubChem CID11805
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKeyPIBKGXNSYQOGKL-UHFFFAOYSA-N
XLogP2.32
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione (CID 11805) is 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione is O=c1n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is PIBKGXNSYQOGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2.
What are the key properties of 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione?
1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 399.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 11805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).