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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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)[N+](=O)[O-])N |
|---|---|
| IUPAC Name | 3-(4-nitrophenyl)triazolo[1,5-a]quinazolin-5-amine |
| InChIKey | POHNBDGGRGBSQB-UHFFFAOYSA-N |
| INCHI | 1S/C15H10N6O2/c16-14-11-3-1-2-4-12(11)20-15(17-14)13(18-19-20)9-5-7-10(8-6-9)21(22)23/h1-8H,(H2,16,17) |
| Peso molecular | 306.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Phenyl-1,2,3-triazoles Triazolopyrimidines Nitrobenzenes Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Phenyltriazole - Phenyl-1,2,3-triazole - Nitrobenzene - Triazolopyrimidine - Nitroaromatic compound - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Peso molecular | 306.280 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 306.087 Da |
| Monoisotopic Mass | 306.087 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 450.000 |
| 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 |