| CAS Number | 1240527-29-0 |
| Catalog Number | AG01A9DT |
| Chemical Name | 2-Amino-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetamide dihydrochloride |
| IUPAC Name | 2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide;dihydrochloride |
| InChI | InChI=1S/C10H11N5O.2ClH/c11-5-10(16)14-8-1-3-9(4-2-8)15-7-12-6-13-15;;/h1-4,6-7H,5,11H2,(H,14,16);2*1H |
| InChI Key | PPFVRXSAGPCFQE-UHFFFAOYSA-N |
| MDL Number | MFCD16547732 |
| Molecular Formula | C10H13Cl2N5O |
| Molecular Weight | 290.1491 |
| SMILES | Cl.Cl.NCC(NC1=CC=C(N2N=CN=C2)C=C1)=O |
| Synonyms | 2-amino-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetamide dihydrochloride,
1240527-29-0,
AC1Q3ATE,
MCULE-8751649345,
NE16000,
EN300-64803,
Z1262327491,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.148g/mol |
| Monoisotopic Mass | 289.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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