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

CAS: 53902-93-5 Cat. No.: B634067 Summenformel: C₆H₄BrN₃ Molekulargewicht: 198.02 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Alternative CAS-Nummer

53902-93-5

PubChem CID

67123766

Molekulargewicht

198.02

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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