Basic information
- Standard SMILES
O=c1[nH][nH]c(=O)n1Cc1cccc(Cn2c(=O)[nH][nH]c2=O)c1- InChIKey
LPAMGKMXPWSRIP-UHFFFAOYSA-N- Molecular formula
- C12H12N6O4
- Average molar mass
- 304.26 g/mol
- Monoisotopic mass
- 304.09200289
Names & identifiers
- Preferred name
- 4-[[3-[(3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione
- IUPAC
- 4-[[3-[(3,5-dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione
Names & synonyms
NSC692601CHEMBL1982298SCHEMBL11171899LPAMGKMXPWSRIP-UHFFFAOYSA-NNSC-6926014-[[3-[(3,5-dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dioneNCI60_0332161,3-bis-(1,2,4-triazolidine-3,5-dione-4-yl-methyl)-benzene4-(3-((3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl)benzyl)-1,2,4-triazolidine-3,5-dione
Database identifiers
- PubChem CID
- 392325
- ChEMBL
CHEMBL1982298
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
Loading…