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Basic Description
| Synonyms | 41081-76-9 | 6-chloro-5-methyl-4h-[1,2,4]triazolo[1,5-a]-pyrimidin-7-one | 3149-90-4 | 6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | 6-Chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 6-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)- |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
antitumor activity |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Pyrimidones Halopyrimidines Aryl chlorides Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - 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 |
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Product Properties
| ALogP | 1.484 |
|---|---|
| HBD Count | 1 |
Names and Identifiers
| IUPAC Name | 6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
|---|---|
| INCHI | InChI=1S/C6H5ClN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2H,1H3,(H,8,9,10) |
| InChIKey | IRXVAONSVXJDSS-UHFFFAOYSA-N |
| Smiles | CC1=C(C(=O)N2C(=N1)N=CN2)Cl |
| Isomeric SMILES | CC1=C(C(=O)N2C(=N1)N=CN2)Cl |
| PubChem CID | 1082919 |
| Molecular Weight | 184.58 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 184.580 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 184.015 Da |
| Monoisotopic Mass | 184.015 Da |
| Topological Polar Surface Area | 57.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
Solution Calculators
Reviews
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