1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione

C18H17N3O2 — CID 118357157

IUPAC1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
SMILESCc1nc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-14-19-17(22)21(13-16-10-6-3-7-11-16)18(23)20(14)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyQZRLUGZGXFMZDZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.81
Rot. Bonds4

About 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione

1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione (PubChem CID 118357157) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
PubChem CID118357157
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
SMILESCc1nc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H17N3O2/c1-14-19-17(22)21(13-16-10-6-3-7-11-16)18(23)20(14)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyQZRLUGZGXFMZDZ-UHFFFAOYSA-N
XLogP1.81
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione (CID 118357157) is 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione is Cc1nc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione?
The InChIKey is QZRLUGZGXFMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-14-19-17(22)21(13-16-10-6-3-7-11-16)18(23)20(14)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3.
What are the key properties of 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione?
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 118357157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).