for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=NC2=C(C=NN2C3=C1CCN3CC4CCCO4)C#N |
|---|---|
| IUPAC Name | 7-methyl-3-(oxolan-2-ylmethyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile |
| InChIKey | FZZAQKDCPWTFHF-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N5O/c1-10-13-4-5-19(9-12-3-2-6-21-12)15(13)20-14(18-10)11(7-16)8-17-20/h8,12H,2-6,9H2,1H3 |
| Isomeric SMILES | CC1=NC2=C(C=NN2C3=C1CCN3CC4CCCO4)C#N |
| PubChem CID | 2766108 |
| Molecular Weight | 283.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[1,5-a]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[1,5-a]pyrimidines |
| Alternative Parents | Pyrrolopyrimidines Dialkylarylamines Pyrimidines and pyrimidine derivatives Tetrahydrofurans Pyrroles Pyrazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Dialkylarylamine - Pyrimidine - Azole - Pyrazole - Pyrrole - Tetrahydrofuran - Heteroaromatic compound - Ether - Dialkyl ether - Nitrile - Azacycle - Oxacycle - Carbonitrile - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 283.330 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 283.143 Da |
| Monoisotopic Mass | 283.143 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-methyl-8-(tetrahydro-2-furanylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile , CAS No.860610-69-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)