| CAS Number | 1339342-11-8 |
| Catalog Number | AG01DSSS(AGN-PC-0FVO0D) |
| Chemical Name | 6-(1H-1,2,4-triazol-1-yl)pyridine-2-carbonitrile |
| IUPAC Name | 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C8H5N5/c9-4-7-2-1-3-8(12-7)13-6-10-5-11-13/h1-3,5-6H |
| InChI Key | PSAGPEARRIAGFX-UHFFFAOYSA-N |
| MDL Number | MFCD20392236 |
| Molecular Formula | C8H5N5 |
| Molecular Weight | 171.1588 |
| SMILES | N#CC1=NC(N2N=CN=C2)=CC=C1 |
| Synonyms | 6-(1H-1,2,4-TRIAZOL-1-YL)PYRIDINE-2-CARBONITRILE,
1339342-11-8,
AKOS013912775,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.163g/mol |
| Monoisotopic Mass | 171.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number