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

C10H11N3O2 — CID 70937889

IUPAC1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCCn1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C10H11N3O2/c1-2-12-10(15)13(9(14)11-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)
InChIKeyYITWNMPHWRUYOK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.35
Rot. Bonds2

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

1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 70937889) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID70937889
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCCn1[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C10H11N3O2/c1-2-12-10(15)13(9(14)11-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)
InChIKeyYITWNMPHWRUYOK-UHFFFAOYSA-N
XLogP0.35
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 70937889) is 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione is CCn1[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is YITWNMPHWRUYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-12-10(15)13(9(14)11-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14).
What are the key properties of 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 205.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 70937889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).