1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione

C17H17N3O2 — CID 24835732

IUPAC1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
SMILESCC(Cc1ccccc1)n1c(=O)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13(12-14-8-4-2-5-9-14)19-16(21)18-17(22)20(19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21,22)
InChIKeyOHLPPWFWSWOEBZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.13
Rot. Bonds4

About 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione

1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione (PubChem CID 24835732) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
PubChem CID24835732
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
SMILESCC(Cc1ccccc1)n1c(=O)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13(12-14-8-4-2-5-9-14)19-16(21)18-17(22)20(19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21,22)
InChIKeyOHLPPWFWSWOEBZ-UHFFFAOYSA-N
XLogP2.13
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione (CID 24835732) is 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione is CC(Cc1ccccc1)n1c(=O)[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is OHLPPWFWSWOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(12-14-8-4-2-5-9-14)19-16(21)18-17(22)20(19)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21,22).
What are the key properties of 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione?
1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylpropan-2-yl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 24835732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).