| CAS Number | 1368716-21-5 |
| Catalog Number | AG01C5K6 |
| Chemical Name | 5-hydroxy-1-methyl-1H-1,2,4-triazole-3-carboxylic acid |
| IUPAC Name | 1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxylic acid |
| InChI | InChI=1S/C4H5N3O3/c1-7-4(10)5-2(6-7)3(8)9/h1H3,(H,8,9)(H,5,6,10) |
| InChI Key | PWELPWHVKYHTOK-UHFFFAOYSA-N |
| MDL Number | MFCD21909602 |
| Molecular Formula | C4H5N3O3 |
| Molecular Weight | 143.1008 |
| SMILES | CN1C(O)=NC(C(O)=O)=N1 |
| Synonyms | 5-Hydroxy-1-methyl-1H-1,2,4-triazole-3-carboxylic acid,
1368716-21-5,
ALBB-032255,
BBL036486,
MFCD21909602,
STL490836,
ZINC82522342,
AKOS022769076,
AKOS022769077,
AKOS022961448,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.102g/mol |
| Monoisotopic Mass | 143.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number