| CAS Number | 93113-10-1 |
| Catalog Number | AG01DF5P(AGN-PC-0WOKIC) |
| Chemical Name | 2-{[1,2,4]Triazolo[4,3-a]pyridin-3-yl}ethan-1-amine dihydrochloride |
| IUPAC Name | 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C8H10N4.2ClH/c9-5-4-8-11-10-7-3-1-2-6-12(7)8;;/h1-3,6H,4-5,9H2;2*1H |
| InChI Key | OKIWZIRLJATVRH-UHFFFAOYSA-N |
| MDL Number | MFCD28895403 |
| Molecular Formula | C8H12Cl2N4 |
| Molecular Weight | 235.1137 |
| SMILES | Cl.Cl.NCCC1N2C(C=CC=C2)=NN=1 |
| Synonyms | 93113-10-1,
3-(2-Aminoethyl)-[1,2,4]triazolo[4,3-a]pyridine Dihydrochloride,
3-(2-Aminoethyl)-[1,2,4]triazolo[4,3-a]pyridineDihydrochloride,
2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine dihydrochloride,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.112g/mol |
| Monoisotopic Mass | 234.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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