| CAS Number | 1525159-29-8 |
| Catalog Number | AG01C1Y5(AGN-PC-0WOMA8) |
| Chemical Name | 3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| IUPAC Name | 3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C13H13N3O2/c17-13(18)10-6-7-11-14-15-12(16(11)8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18) |
| InChI Key | AEOBGWSMUHRGAG-UHFFFAOYSA-N |
| MDL Number | MFCD23579322 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | OC(C1CN2C(=NN=C2C2=CC=CC=C2)CC1)=O |
| Synonyms | 3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid,
1525159-29-8,
AKOS020074250,
Z2240999286,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.100777g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.26g/mol |
| Monoisotopic Mass | 243.100777g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number