WL-309756 - 10mM in DMSO , CAS No.3149-90-4

CAS: 3149-90-4 Cat. No.: W423266 Fórmula: C₆H₅ClN₄O Peso molecular: 184.58 PubChem CID: 1082919

GRADE & PURITY 10mM in DMSO

Synonyms

6-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one | 5-Chloro-4-hydroxy-6-methyl-1,3,3a,7-tetraazaindene | 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)-one | 6-chloro-5-methy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

antitumor activity

Specifications

Sinónimos

6-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one | 5-Chloro-4-hydroxy-6-methyl-1,3,3a,7-tetraazaindene | 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)-one | 6-chloro-5-methy

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

1.484

Contagem HBD

1

Nomes e identificadores

Sorrisos canónicos

CC1=C(C(=O)N2C(=N1)N=CN2)Cl

IUPAC Name

6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

InChIKey

IRXVAONSVXJDSS-UHFFFAOYSA-N

INCHI

1S/C6H5ClN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2H,1H3,(H,8,9,10)

SMILES isoméricas

CC1=C(C(=O)N2C(=N1)N=CN2)Cl

PubChem CID

1082919

Peso molecular

184.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 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