| CAS Number | 1536259-68-3 |
| Catalog Number | AG01C1YJ |
| Chemical Name | 3-(3-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| IUPAC Name | 3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C14H15N3O2/c1-9-3-2-4-10(7-9)13-16-15-12-6-5-11(14(18)19)8-17(12)13/h2-4,7,11H,5-6,8H2,1H3,(H,18,19) |
| InChI Key | OQJFKHOIEIDQHQ-UHFFFAOYSA-N |
| MDL Number | MFCD25129182 |
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.2878 |
| SMILES | CC1=CC(C2N3C(CCC(C(O)=O)C3)=NN=2)=CC=C1 |
| Synonyms | 3-(3-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid,
1536259-68-3,
AKOS020074035,
Z2240999274,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.293g/mol |
| Monoisotopic Mass | 257.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number