3-Amino-2-pyrazinecarboxylic acid - ≥98% , CAS No.5424-01-1

CAS: 5424-01-1 Cat. No.: A107498 Molecular Weight: 139.11 Beilstein Registry Number: 124835 EC Number: 226-558-7

GRADE & PURITY ≥98%

Synonyms

AKOS000121386 | 3-Aminopiperazine-2-carboxylic acid | A0848 | 2-Amino-3-carboxypyrazine | W-105651 | AB00606 | 3-amino-pyrazine-2-carboxylic acid | 3-Aminopyrazine-2-carboxylic acid | Oprea1_107188 | STK525001 | 3-Aminopyrazine-2-carboxylicacid | DTXSID20

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS000121386 | 3-Aminopiperazine-2-carboxylic acid | A0848 | 2-Amino-3-carboxypyrazine | W-105651 | AB00606 | 3-amino-pyrazine-2-carboxylic acid | 3-Aminopyrazine-2-carboxylic acid | Oprea1_107188 | STK525001 | 3-Aminopyrazine-2-carboxylicacid | DTXSID20

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184699
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184699
• Canonical Smiles: C1=CN=C(C(=N1)C(=O)O)N
• IUPAC Name: 3-aminopyrazine-2-carboxylic acid
• InChIKey: ZAGZIOYVEIDDJA-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)
• Isomeric SMILES: C1=CN=C(C(=N1)C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 139.11
• Beilstein: 124835
• Reaxy-Rn: 124835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124835&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 Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Aminopyrazine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

• Melt Point(°C): 205-210°C
• Molecular Weight: 139.110 g/mol
• XLogP3: -0.200
• 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

References

1. Huan Luo, Rong-Gui Yang, Zhao-Hui Chen, Guo-Qing Zhong.  (2021)  Three bismuth(III) complexes constructed by N-containing heterocyclic carboxylic acids: Synthesis, crystal structure and photocatalytic activity.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2021.122256]

2. Haozhe Wang, Dan Li, Qingyao Meng, Xue Li, Kangle Guo, Zehua Zou, Jinsong Peng, Yuan Sun, Tiedong Sun.  (2024)  POM-Based Hydrogels for Efficient Synergistic Chemodynamic/Low-Temperature Photothermal Antibacterial Therapy.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:39401291] [10.1002/marc.202400415]