| CAS Number | 1216149-55-1 |
| Catalog Number | AG01A6IL(AGN-PC-0WO9B2) |
| Chemical Name | 1H-[1,2,3]triazolo[4,5-b]pyridine-5-carboxylic acid |
| IUPAC Name | 2H-triazolo[4,5-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C6H4N4O2/c11-6(12)4-2-1-3-5(7-4)9-10-8-3/h1-2H,(H,11,12)(H,7,8,9,10) |
| InChI Key | MSDSHMASSBUWGM-UHFFFAOYSA-N |
| MDL Number | MFCD12404057 |
| Molecular Formula | C6H4N4O2 |
| Molecular Weight | 164.1216 |
| SMILES | OC(C1=NC2=C(NN=N2)C=C1)=O |
| Synonyms | 1216149-55-1,
3H-[1,2,3]triazolo[4,5-b]pyridine-5-carboxylic acid,
3H-1,2,3-Triazolo[4,5-b]pyridine-5-carboxylic acid,
SCHEMBL3015978,
SCHEMBL19579757,
ZINC40541297,
AKOS023555613,
1H-[1,2,3]triazolo[4,5-b]pyridine-5-carboxylic acid,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.124g/mol |
| Monoisotopic Mass | 164.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number