| CAS Number | 1406928-10-6 |
| Catalog Number | AG01C5DY |
| Chemical Name | 2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid |
| IUPAC Name | 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid |
| InChI | InChI=1S/C8H11N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-5H2,(H,12,13) |
| InChI Key | OHVFGIAVSNPLBA-UHFFFAOYSA-N |
| MDL Number | MFCD17257163 |
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.1912 |
| SMILES | OC(CN1C(=O)N2C(CCCC2)=N1)=O |
| Synonyms | 2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid,
1406928-10-6,
ZINC61817397,
AKOS012234164,
Z2442102917,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.194g/mol |
| Monoisotopic Mass | 197.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number