4-Benzyl-1,2,4-triazolidine-3,5-dione

HCID 392331
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Basic information

Standard SMILES
O=c1[nH][nH]c(=O)n1Cc1ccccc1
InChIKey
AHSGRQNZXBIREA-UHFFFAOYSA-N
Molecular formula
C9H9N3O2
Average molar mass
191.19 g/mol
Monoisotopic mass
191.06947654

Names & identifiers

Preferred name
4-Benzyl-1,2,4-triazolidine-3,5-dione
IUPAC
4-benzyl-1,2,4-triazolidine-3,5-dione

Names & synonyms

4-Benzyl-1,2,4-triazolidine-3,5-dioneNSC6926074-benzylurazoleSCHEMBL9453672CHEMBL1969763AHSGRQNZXBIREA-UHFFFAOYSA-NAKOS040765825NSC-692607NCI60_0332224-benzyl-1,2,4-triazo-lidine-3,5-dione

Database identifiers

PubChem CID
392331
ChEMBL
CHEMBL1969763
Nikkaji
J2.491.466F

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
61.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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