3-bromopyrazolo[1,5-a]pyrazine - ≥97% , CAS No.53902-93-5

CAS: 53902-93-5 Cat. No.: B634067 Formula: C₆H₄BrN₃ Peso molecolare: 198.02 Numero EC: 850-187-5 PubChem CID: 67123766

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1693785 | SY059162 | A914710 | MFCD26406993 | 3-BROMOPYRAZOLO[1,5-A]PYRAZINE | AKOS023561253 | BQEQQUBYZMIBOT-UHFFFAOYSA-N | AS-42287 | Pyrazolo[1,5-a]pyrazine,3-bromo- | EN300-170967 | Z1785656348

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL1693785 | SY059162 | A914710 | MFCD26406993 | 3-BROMOPYRAZOLO[1,5-A]PYRAZINE | AKOS023561253 | BQEQQUBYZMIBOT-UHFFFAOYSA-N | AS-42287 | Pyrazolo[1,5-a]pyrazine,3-bromo- | EN300-170967 | Z1785656348

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CN2C(=C(C=N2)Br)C=N1

IUPAC Name

3-bromopyrazolo[1,5-a]pyrazine

InChIKey

BQEQQUBYZMIBOT-UHFFFAOYSA-N

INCHI

1S/C6H4BrN3/c7-5-3-9-10-2-1-8-4-6(5)10/h1-4H

Isomeri SMILES

C1=CN2C(=C(C=N2)Br)C=N1

CAS alternativo

53902-93-5

PubChem CID

67123766

Peso molecolare

198.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

• Peso molecolare: 198.020 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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