| CAS Number | 1424081-43-5 |
| Catalog Number | AG01A36Z(AGN-PC-0WOD26) |
| Chemical Name | 2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid |
| IUPAC Name | 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetic acid |
| InChI | InChI=1S/C5H7N3O3/c1-7-3-6-8(5(7)11)2-4(9)10/h3H,2H2,1H3,(H,9,10) |
| InChI Key | FGEKLKCHHDOOKJ-UHFFFAOYSA-N |
| MDL Number | MFCD23144005 |
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.1274 |
| SMILES | CN1C(=O)N(CC(O)=O)N=C1 |
| Synonyms | 2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid,
1424081-43-5,
ZINC88611755,
AKOS020918062,
MCULE-5543323212,
NE19829,
Z1558209660,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.129g/mol |
| Monoisotopic Mass | 157.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number