| CAS Number | 1795457-36-1 |
| Catalog Number | AG01BCP8 |
| Chemical Name | 4-(pyridin-4-yl)-1,2,4-triazolidine-3,5-dione |
| IUPAC Name | 4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione |
| InChI | InChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13) |
| InChI Key | GLLPTOIEZFIHHC-UHFFFAOYSA-N |
| MDL Number | MFCD28118235 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | O=C1N(C2=CC=NC=C2)C(=O)NN1 |
| Synonyms | 4-(pyridin-4-yl)-1,2,4-triazolidine-3,5-dione,
1795457-36-1,
ZINC98209699,
AKOS033654538,
Z1901071739,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number