| CAS Number | 1147675-34-0 |
| Catalog Number | AG019V5K |
| Chemical Name | 1-(3-aminophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(3-aminophenyl)-5-ethyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C11H12N4O2/c1-2-9-10(11(16)17)13-14-15(9)8-5-3-4-7(12)6-8/h3-6H,2,12H2,1H3,(H,16,17) |
| InChI Key | QRYFTINPHMKNBZ-UHFFFAOYSA-N |
| MDL Number | MFCD12197025 |
| Molecular Formula | C11H12N4O2 |
| Molecular Weight | 232.2386 |
| SMILES | CCC1N(C2=CC(N)=CC=C2)N=NC=1C(O)=O |
| Synonyms | 1-(3-aminophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid,
1147675-34-0,
AC1Q2SW7,
CTK6D0825,
ZINC32937843,
AKOS034361295,
MCULE-7049004940,
NE52745,
EN300-43815,
Z449369114,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.243g/mol |
| Monoisotopic Mass | 232.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number