| CAS Number | 1193388-85-0 |
| Catalog Number | AG019WM9(AGN-PC-0WO5XC) |
| Chemical Name | 1-[(dimethylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N4O3/c1-10(2)6(12)4-11-3-5(7(13)14)8-9-11/h3H,4H2,1-2H3,(H,13,14) |
| InChI Key | KPQKNPZQTZXPIY-UHFFFAOYSA-N |
| MDL Number | MFCD12913104 |
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.1793 |
| SMILES | CN(C(CN1N=NC(C(O)=O)=C1)=O)C |
| Synonyms | 1-[(dimethylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid,
1193388-85-0,
AC1Q3VZO,
CTK6H9172,
ZINC36379874,
AKOS010299776,
MCULE-6567292914,
NE19625,
EN300-52382,
AB01004773-01,
Z763366268,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.182g/mol |
| Monoisotopic Mass | 198.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number