5-bromo-1H-pyrazolo[3,4-b]pyrazin-3-amine - ≥97% , CAS No.1242336-77-1

CAS: 1242336-77-1 Cat. No.: B172869 Molecular Weight: 214.023 EC Number: 848-250-7 PubChem CID: 57415872

GRADE & PURITY ≥97%

Synonyms

J-516803 | PB15300 | 1H-Pyrazolo[3,4-b]pyrazin-3-amine, 5-bromo- | 5-Bromo-1H-pyrazolo[3,4-b]pyrazin-3-ylamine | SCHEMBL1585948 | 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine | AS-34073 | 5-BROMO-1H-PYRAZOLO[3,4-B]PYRAZIN-3-AMINE | 1242336-77-1 | 3-AMINO-5-B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-516803 | PB15300 | 1H-Pyrazolo[3, 4-b]pyrazin-3-amine, 5-bromo- | 5-Bromo-1H-pyrazolo[3, 4-b]pyrazin-3-ylamine | SCHEMBL1585948 | 5-bromo-2H-pyrazolo[3, 4-b]pyrazin-3-amine | AS-34073 | 5-BROMO-1H-PYRAZOLO[3, 4-B]PYRAZIN-3-AMINE | 1242336-77-1 | 3-AMINO-5-B

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=NC2=NNC(=C2N=C1Br)N
• IUPAC Name: 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
• InChIKey: VDDJIDGFTDEJFJ-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
• Isomeric SMILES: C1=NC2=NNC(=C2N=C1Br)N
• PubChem CID: 57415872
• Molecular Weight: 214.023

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolo[3,4-b]pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolo[3,4-b]pyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-b]pyrazines
• Alternative Parents: Pyrazines Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-b]pyrazine - Aryl bromide - Aryl halide - Pyrazine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-b]pyrazines. These are aromatic heterocyclic compounds containing a pyrazole ring and a pyrazine ring fused to one another without sharing a nitrogen atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 214.020 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.965 Da
• Monoisotopic Mass: 212.965 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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