5-Aminopyrazine-2-carboxylic acid - ≥96% , CAS No.40155-43-9

CAS: 40155-43-9 Cat. No.: A193238 Molecular Weight: 139.11 EC Number: 991-875-6

GRADE & PURITY ≥96%

Synonyms

DS-10472 | Q-103312 | 5-Amino-2-pyrazinecarboxylic acid | BCP23322 | A6712 | AKOS005146115 | PB32499 | DTXSID20619638 | 5-amino-pyrazine-2-carboxylic acid, AldrichCPR | 5-aminopyrazine-2-carboxylicacid | RB3194 | PYRAZINECARBOXYLIC ACID, 5-AMINO- | 2-Amin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DS-10472 | Q-103312 | 5-Amino-2-pyrazinecarboxylic acid | BCP23322 | A6712 | AKOS005146115 | PB32499 | DTXSID20619638 | 5-amino-pyrazine-2-carboxylic acid, AldrichCPR | 5-aminopyrazine-2-carboxylicacid | RB3194 | PYRAZINECARBOXYLIC ACID, 5-AMINO- | 2-Amin

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1=C(N=CC(=N1)N)C(=O)O
• IUPAC Name: 5-aminopyrazine-2-carboxylic acid
• InChIKey: FMEFOOOBIHQRMK-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H2,6,8)(H,9,10)
• Isomeric SMILES: C1=C(N=CC(=N1)N)C(=O)O
• Molecular Weight: 139.11
• Reaxy-Rn: 120673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Aminopyrazines Imidolactams Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Aminopyrazine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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

Associated Targets(non-human)

Mycobacterium tuberculosis variant bovis (1746 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 139.110 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 139.038 Da
• Monoisotopic Mass: 139.038 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 139.000
• 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