| CAS Number | 1393101-11-5 |
| Catalog Number | AG019ESM |
| Chemical Name | 4-amino-2-methylpyrazole-3-carbonitrile |
| IUPAC Name | 4-amino-2-methylpyrazole-3-carbonitrile |
| InChI | InChI=1S/C5H6N4/c1-9-5(2-6)4(7)3-8-9/h3H,7H2,1H3 |
| InChI Key | DKIXJJWMOCKVJG-UHFFFAOYSA-N |
| MDL Number | MFCD26680192 |
| Molecular Formula | C5H6N4 |
| Molecular Weight | 122.1279 |
| SMILES | Cn1ncc(c1C#N)N |
| Synonyms | 4-Amino-1-methyl-1H-pyrazole-5-carbonitrile,
1393101-11-5,
4-amino-2-methylpyrazole-3-carbonitrile,
SCHEMBL15652181,
MFCD26680192,
ZINC75847251,
AKOS023098355,
CS-0038823,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.131g/mol |
| Monoisotopic Mass | 122.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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