≥97% 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 | COC1=CC=C(C=C1)C2C(C(N3C(=NC=N3)N2)C4=CC=CC=C4)N |
|---|---|
| IUPAC Name | 5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine |
| InChIKey | IWWSVINQONJVDG-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N5O/c1-24-14-9-7-12(8-10-14)16-15(19)17(13-5-3-2-4-6-13)23-18(22-16)20-11-21-23/h2-11,15-17H,19H2,1H3,(H,20,21,22) |
| PubChem CID | 135573105 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Hydropyrimidines Triazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Monoalkylamines Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Triazoline - Carboxylic acid amidrazone - Formamidine - Azacycle - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Imine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 321.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 321.159 Da |
| Monoisotopic Mass | 321.159 Da |
| Topological Polar Surface Area | 78.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-(4-Methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-amine - ≥97% , CAS No.1217728-23-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)