| CAS Number | 1803592-84-8 |
| Catalog Number | AG01AD6X(AGN-PC-0WO82Z) |
| Chemical Name | tert-Butyl 3-amino-1H-1,2,4-triazole-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-1,2,4-triazole-1-carboxylate |
| InChI | InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)11-4-9-5(8)10-11/h4H,1-3H3,(H2,8,10) |
| InChI Key | FJXSRCUWKNZLHE-UHFFFAOYSA-N |
| MDL Number | MFCD26936279 |
| Molecular Formula | C7H12N4O2 |
| Molecular Weight | 184.1958 |
| SMILES | CC(C)(C)OC(=O)N1C=NC(=N1)N |
| Synonyms | tert-butyl 3-amino-1H-1,2,4-triazole-1-carboxylate,
1803592-84-8,
ZINC95883720,
AKOS026728721,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.199g/mol |
| Monoisotopic Mass | 184.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number