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.
| Canonical Smiles | CC1=NC2=C(C=NN2C3=C1CCN3CC(OC)OC)C#N |
|---|---|
| IUPAC Name | 3-(2,2-dimethoxyethyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile |
| InChIKey | ROKGRWXPJCLASC-UHFFFAOYSA-N |
| INCHI | 1S/C14H17N5O2/c1-9-11-4-5-18(8-12(20-2)21-3)14(11)19-13(17-9)10(6-15)7-16-19/h7,12H,4-5,8H2,1-3H3 |
| Isomeric SMILES | CC1=NC2=C(C=NN2C3=C1CCN3CC(OC)OC)C#N |
| PubChem CID | 1482913 |
| Molecular Weight | 287.32 |
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 Pyrroles Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Dialkylarylamine - Pyrimidine - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Acetal - Nitrile - Azacycle - 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 | 287.320 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.138 Da |
| Monoisotopic Mass | 287.138 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 421.000 |
| 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 |
