1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione

C17H17N3O2 — CID 70937887

IUPAC1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-18-16(21)19(12-14-8-4-2-5-9-14)20(17(18)22)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyFDPLGCUBKXAOTC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.45
Rot. Bonds4

About 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione

1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione (PubChem CID 70937887) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione
PubChem CID70937887
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-18-16(21)19(12-14-8-4-2-5-9-14)20(17(18)22)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyFDPLGCUBKXAOTC-UHFFFAOYSA-N
XLogP1.45
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione (CID 70937887) is 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)n(Cc2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is FDPLGCUBKXAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-18-16(21)19(12-14-8-4-2-5-9-14)20(17(18)22)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione?
1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 295.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 70937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).