| CAS Number | 311349-58-3 |
| Catalog Number | AG01AG4S(AGN-PC-0WO7UG) |
| Chemical Name | ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate hydrochloride |
| IUPAC Name | ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C6H10N4O2.ClH/c1-2-12-6(11)5-8-4(3-7)9-10-5;/h2-3,7H2,1H3,(H,8,9,10);1H |
| InChI Key | CJTDJMMJYFZMCR-UHFFFAOYSA-N |
| MDL Number | MFCD27920340 |
| Molecular Formula | C6H11ClN4O2 |
| Molecular Weight | 206.6301 |
| SMILES | Cl.CCOC(C1N=C(CN)NN=1)=O |
| Synonyms | ethyl 5-(aminomethyl)-1H-1,2,4-triazole-3-carboxylate hydrochloride,
311349-58-3,
AKOS026728638,
EN300-157182,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.63g/mol |
| Monoisotopic Mass | 206.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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