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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.
| Canonical Smiles | C1C2=C(CN1)NN=C2N |
|---|---|
| IUPAC Name | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine |
| InChIKey | KVRUYJRLTMIRKL-UHFFFAOYSA-N |
| INCHI | 1S/C5H8N4/c6-5-3-1-7-2-4(3)8-9-5/h7H,1-2H2,(H3,6,8,9) |
| Isomeric SMILES | C1C2=C(CN1)NN=C2N |
| PubChem CID | 16784575 |
| Molecular Weight | 124.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyrazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrazoles |
| Alternative Parents | Aralkylamines Imidolactams Pyrroles Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrazole - Aralkylamine - Imidolactam - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organopnictogen compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. |
| External Descriptors | Not available |
| Molecular Weight | 124.140 g/mol |
|---|---|
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 124.075 Da |
| Monoisotopic Mass | 124.075 Da |
| Topological Polar Surface Area | 66.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |