≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CN=C(N=C1)N2C(=C(C=N2)C#N)N |
|---|---|
| IUPAC Name | 5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile |
| InChIKey | SIEFZVDTJZTHPL-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-3,5H,10H2 |
| Isómeros SMILES | C1=CN=C(N=C1)N2C(=C(C=N2)C#N)N |
| PubChem CID | 11988225 |
| Peso molecular | 186.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 186.170 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 186.065 Da |
| Monoisotopic Mass | 186.065 Da |
| Topological Polar Surface Area | 93.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
