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

CAS: 3149-90-4 Cat. No.: W423266 Formula: C₆H₅ClN₄O Peso molecolare: 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

Panoramica

antitumor activity

Specifications

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

• ALogP: 1.484
• Conteggio HBD: 1

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=C(C(=O)N2C(=N1)N=CN2)Cl
• PubChem CID: 1082919
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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