| CAS Number | 1909336-64-6 |
| Catalog Number | AG01AC1C |
| Chemical Name | 2-(4H-1,2,4-triazole-3-carbonyl)pyridine |
| IUPAC Name | pyridin-2-yl(1H-1,2,4-triazol-5-yl)methanone |
| InChI | InChI=1S/C8H6N4O/c13-7(8-10-5-11-12-8)6-3-1-2-4-9-6/h1-5H,(H,10,11,12) |
| InChI Key | NHFSQGYPPBHEQN-UHFFFAOYSA-N |
| MDL Number | MFCD29047150 |
| Molecular Formula | C8H6N4O |
| Molecular Weight | 174.1594 |
| SMILES | O=C(C1=NC=CC=C1)C1NC=NN=1 |
| Synonyms | 2-(4H-1,2,4-triazole-3-carbonyl)pyridine,
1909336-64-6,
AKOS033816860,
ZINC253393447,
Z2236664423,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.163g/mol |
| Monoisotopic Mass | 174.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number