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

C17H17N3O2 — CID 3065426

IUPAC1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16-18-17(22)20(15-11-5-2-6-12-15)19(16)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,18,21,22)
InChIKeyATELVPFSVIWZSN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.96
Rot. Bonds5

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

1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 3065426) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione
PubChem CID3065426
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16-18-17(22)20(15-11-5-2-6-12-15)19(16)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,18,21,22)
InChIKeyATELVPFSVIWZSN-UHFFFAOYSA-N
XLogP1.96
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione (CID 3065426) is 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione is O=c1[nH]c(=O)n(-c2ccccc2)n1CCCc1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is ATELVPFSVIWZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-18-17(22)20(15-11-5-2-6-12-15)19(16)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,18,21,22).
What are the key properties of 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione?
1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 295.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 3065426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).