| CAS Number | 1214640-04-6 |
| Catalog Number | AG019LZF |
| Chemical Name | 5-methyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro-1,2,4-triazine-3-carboxylic acid |
| IUPAC Name | 5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylic acid |
| InChI | InChI=1S/C11H11N3O3/c1-7-10(15)14(8-5-3-2-4-6-8)13-9(12-7)11(16)17/h2-7H,1H3,(H,12,13)(H,16,17) |
| InChI Key | BNUVSNJZDYXDML-UHFFFAOYSA-N |
| MDL Number | MFCD09971656 |
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.2233 |
| SMILES | CC1C(=O)N(C2=CC=CC=C2)N=C(C(O)=O)N1 |
| Synonyms | 5-methyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro-1,2,4-triazine-3-carboxylic acid,
1214640-04-6,
AC1Q2RHT,
CTK6C3957,
CTK8F6913,
AKOS034231754,
MCULE-2581440252,
NE27704,
EN300-33486,
Z361993828,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.227g/mol |
| Monoisotopic Mass | 233.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number