| CAS Number | 54317-65-6 |
| Catalog Number | AG01BEFM(AGN-PC-0WOT6J) |
| Chemical Name | 6-hydrazinyl-2,4-dimethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione |
| IUPAC Name | 6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione |
| InChI | InChI=1S/C5H9N5O2/c1-9-4(11)3(7-6)8-10(2)5(9)12/h6H2,1-2H3,(H,7,8) |
| InChI Key | MLEVAFOVOOWHAK-UHFFFAOYSA-N |
| MDL Number | MFCD12103337 |
| Molecular Formula | C5H9N5O2 |
| Molecular Weight | 171.1573 |
| SMILES | CN1C(=O)N(C)C(=O)C(NN)=N1 |
| Synonyms | 6-hydrazinyl-2,4-dimethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione,
54317-65-6,
ZINC36867653,
AKOS009835158,
NE52431,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.16g/mol |
| Monoisotopic Mass | 171.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number