| CAS Number | 1370462-55-7 |
| Catalog Number | AG01DYPL |
| Chemical Name | 1-ethyl-1H-1,2,4-triazole-3-carboxylic acid |
| IUPAC Name | 1-ethyl-1,2,4-triazole-3-carboxylic acid |
| InChI | InChI=1S/C5H7N3O2/c1-2-8-3-6-4(7-8)5(9)10/h3H,2H2,1H3,(H,9,10) |
| InChI Key | OFTDEPNAXOCIEU-UHFFFAOYSA-N |
| MDL Number | MFCD28604938 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | CCN1N=C(C(O)=O)N=C1 |
| Synonyms | 1-ethyl-1H-1,2,4-triazole-3-carboxylic acid,
1370462-55-7,
AKOS023556643,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.13g/mol |
| Monoisotopic Mass | 141.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number