≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
5-Aza-7-deazaguanine is a substrate for wild-type (WT) E. coli purine nucleoside phosphorylase and its Ser90Ala mutant in the synthesis of base-modified nucleosides
| pKa | pKa: 8.5 (Predicted), pKa: 7.92 (Predicted) |
|---|
| Canonical Smiles | C1=CN2C(=O)NC(=NC2=N1)N |
|---|---|
| IUPAC Name | 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one |
| InChIKey | KSTJOICDZAFYTD-UHFFFAOYSA-N |
| INCHI | 1S/C5H5N5O/c6-3-8-4-7-1-2-10(4)5(11)9-3/h1-2H,(H3,6,7,8,9,11) |
| Isomeric SMILES | C1=CN2C(=O)NC(=NC2=N1)N |
| Molecular Weight | 151.13 |
| Reaxy-Rn | 28051885 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28051885&ln= |
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 | Triazines |
| Subclass | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | Aminotriazines N-substituted imidazoles 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Amino-1,3,5-triazine - Aminotriazine - Triazinone - N-substituted imidazole - 1,3,5-triazine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2424064 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424065 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424066 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424087 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424088 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424089 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424090 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424096 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424097 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| G2424100 | Certificate of Analysis | Apr 12, 2024 | A331905 |
| Refractive Index | n20D1.96 (Predicted) |
|---|---|
| Boil Point(°C) | ~382.7° C at 760 mmHg (Predicted) |
| Melt Point(°C) | >240° C (dec.) |
| Molecular Weight | 151.130 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.049 Da |
| Monoisotopic Mass | 151.049 Da |
| Topological Polar Surface Area | 85.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
