| CAS Number | 1909305-19-6 |
| Catalog Number | AG01C56P |
| Chemical Name | 2-(3-carbamoyl-1H-1,2,4-triazol-1-yl)acetic acid |
| IUPAC Name | 2-(3-carbamoyl-1,2,4-triazol-1-yl)acetic acid |
| InChI | InChI=1S/C5H6N4O3/c6-4(12)5-7-2-9(8-5)1-3(10)11/h2H,1H2,(H2,6,12)(H,10,11) |
| InChI Key | CMLHYHSPLZQNML-UHFFFAOYSA-N |
| MDL Number | MFCD29763320 |
| Molecular Formula | C5H6N4O3 |
| Molecular Weight | 170.1261 |
| SMILES | NC(C1=NN(CC(O)=O)C=N1)=O |
| Synonyms | 2-(3-carbamoyl-1H-1,2,4-triazol-1-yl)acetic acid,
1909305-19-6,
AKOS033919736,
ZINC328579361,
Z2465619830,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.128g/mol |
| Monoisotopic Mass | 170.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number