| CAS Number | 1511044-27-1 |
| Catalog Number | AG01ALB0 |
| Chemical Name | 5-Methyl-1-(1-methyl-1h-pyrazol-3-yl)-1h-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-(1-methylpyrazol-3-yl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C8H9N5O2/c1-5-7(8(14)15)9-11-13(5)6-3-4-12(2)10-6/h3-4H,1-2H3,(H,14,15) |
| InChI Key | NHJCYFQFJPTZOZ-UHFFFAOYSA-N |
| MDL Number | MFCD23767028 |
| Molecular Formula | C8H9N5O2 |
| Molecular Weight | 207.1894 |
| SMILES | O=C(C1=C(C)N(C2=NN(C)C=C2)N=N1)O |
| Synonyms | 5-methyl-1-(1-methyl-1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylic acid,
1511044-27-1,
ZINC86781001,
AKOS018337183,
Z2213893329,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.193g/mol |
| Monoisotopic Mass | 207.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number