| CAS Number | 1909317-03-8 |
| Catalog Number | AG00JITO(AGN-PC-0EX1WM) |
| Chemical Name | [3-(Pyridin-2-yl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride |
| IUPAC Name | (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H9N5.ClH/c9-5-7-11-8(13-12-7)6-3-1-2-4-10-6;/h1-4H,5,9H2,(H,11,12,13);1H |
| InChI Key | TVOIRKURXWAVDZ-UHFFFAOYSA-N |
| MDL Number | MFCD29047378 |
| Molecular Formula | C8H10ClN5 |
| Molecular Weight | 211.6515 |
| SMILES | Cl.NCC1NN=C(C2=NC=CC=C2)N=1 |
| Synonyms | 1909317-03-8,
[3-(PYRIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]METHANAMINE HYDROCHLORIDE,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.653g/mol |
| Monoisotopic Mass | 211.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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