| CAS Number | 1798732-70-3 |
| Catalog Number | AG01BFL5 |
| Chemical Name | 1-[3-(4-methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[3-(4-methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C10H13N5.ClH/c1-6-3-4-12-8(5-6)10-13-9(7(2)11)14-15-10;/h3-5,7H,11H2,1-2H3,(H,13,14,15);1H |
| InChI Key | TYIKZPQIPHRTJW-UHFFFAOYSA-N |
| MDL Number | MFCD28118638 |
| Molecular Formula | C10H14ClN5 |
| Molecular Weight | 239.7047 |
| SMILES | Cl.CC(C1NN=C(C2=NC=CC(C)=C2)N=1)N |
| Synonyms | 1798732-70-3,
1-[3-(4-methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine hydrochloride,
1-(3-(4-Methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl)ethanamine hydrochloride,
Z1945700469,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.707g/mol |
| Monoisotopic Mass | 239.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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