Pyrido[3,4-b]pyrazine-2,3(1H,4H)-dione - ≥95% , CAS No.35251-84-4

CAS: 35251-84-4 Cat. No.: P588840 Molecular Weight: 163.13 EC Number: 814-901-9 PubChem CID: 10797083

GRADE & PURITY ≥95%

Synonyms

1,4-Dihydropyrido[3,4-b]pyrazine-2,3-dione | pyrido[4,3-b]pyrazine-2,3-diol

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

1, 4-Dihydropyrido[3, 4-b]pyrazine-2, 3-dione | pyrido[4, 3-b]pyrazine-2, 3-diol

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765620
• Canonical Smiles: C1=CN=CC2=C1NC(=O)C(=O)N2
• IUPAC Name: 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
• InChIKey: XJBUUVXPCSJTDR-UHFFFAOYSA-N
• INCHI: 1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12)
• Isomeric SMILES: C1=CN=CC2=C1NC(=O)C(=O)N2
• PubChem CID: 10797083
• Molecular Weight: 163.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrazines
• Alternative Parents: Pyridines and derivatives Pyrazines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrazine - Pyridine - Pyrazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrazines. These are aromatic heteropolycyclic compounds containing a pyridine ring fused to a pyrazine ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 163.130 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.038 Da
• Monoisotopic Mass: 163.038 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 229.000
• 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