| CAS Number | 1542234-40-1 |
| Catalog Number | AG00AKML(AGN-PC-0WNHBP) |
| Chemical Name | 2,6-Di(2H-1,2,3-triazol-4-yl)pyridine |
| IUPAC Name | 2,6-bis(2H-triazol-4-yl)pyridine |
| InChI | InChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16) |
| InChI Key | GTUXTIISPOXPEF-UHFFFAOYSA-N |
| MDL Number | MFCD29089352 |
| Molecular Formula | C9H7N7 |
| Molecular Weight | 213.1988 |
| SMILES | C1=CC(=NC(=C1)C2=NNN=C2)C3=NNN=C3 |
| Synonyms | 2,6-bis(1,2,3-triazol-4-yl)pyridine,
2,6-Di(2H-1,2,3-triazol-4-yl)pyridine,
1542234-40-1,
SCHEMBL17907394,
2,6-bis(1,2,3-triazol-4-yl)pyridine,
D4879,
2,6-Bis(1H-1,2,3-triazole-5-yl)pyridine,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.204g/mol |
| Monoisotopic Mass | 213.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number