| CAS Number | 1256643-58-9 |
| Catalog Number | AG009DX5(AGN-PC-0WB5W6) |
| Chemical Name | 3-Methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid |
| IUPAC Name | 3-methyltriazolo[4,5-b]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2/c1-11-6-5(9-10-11)2-4(3-8-6)7(12)13/h2-3H,1H3,(H,12,13) |
| InChI Key | QDFVDLJZCYHXHE-UHFFFAOYSA-N |
| MDL Number | MFCD18381892 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | OC(=O)c1cnc2c(c1)nnn2C |
| Synonyms | 1256643-58-9,
3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid,
MFCD18381892,
ZINC54956936,
AKOS006316417,
MCULE-8708022368,
AJ-112402,
Y-7867,
Z1626921254,
3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid(SALTDATA,
3-methyltriazolo[4,5-b]pyridine-6-carboxylic acid,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number