| CAS Number | 1040326-87-1 |
| Catalog Number | AG01BD6Y |
| Chemical Name | 4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenol |
| IUPAC Name | 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol |
| InChI | InChI=1S/C12H13N3O/c16-10-6-4-9(5-7-10)12-14-13-11-3-1-2-8-15(11)12/h4-7,16H,1-3,8H2 |
| InChI Key | UZAWKGWTZYUVPR-UHFFFAOYSA-N |
| MDL Number | MFCD11184221 |
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.2511 |
| SMILES | OC1=CC=C(C2N3C(CCCC3)=NN=2)C=C1 |
| Synonyms | 4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenol,
1040326-87-1,
ZINC20368402,
NE37072,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.256g/mol |
| Monoisotopic Mass | 215.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number