4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione

C11H13N3O2 — CID 121221372

IUPAC4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
SMILESCCCn1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H13N3O2/c1-2-8-13-11(16)14(10(15)12-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15)
InChIKeyDLBVJYIXJDUFPQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.74
Rot. Bonds3

About 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione

4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione (PubChem CID 121221372) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
PubChem CID121221372
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
SMILESCCCn1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C11H13N3O2/c1-2-8-13-11(16)14(10(15)12-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15)
InChIKeyDLBVJYIXJDUFPQ-UHFFFAOYSA-N
XLogP0.74
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione (CID 121221372) is 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione is CCCn1[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is DLBVJYIXJDUFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-8-13-11(16)14(10(15)12-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15).
What are the key properties of 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione?
4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 121221372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).