2-Methoxy-3-(piperazin-1-yl)pyrazine - ≥98% , CAS No.1565910-20-4

CAS: 1565910-20-4 Cat. No.: M1268723 Molecular Weight: 194.23 PubChem CID: 91812179

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=NC=CN=C1N2CCNCC2
• IUPAC Name: 2-methoxy-3-piperazin-1-ylpyrazine
• InChIKey: NICSLZIJGYTXAX-UHFFFAOYSA-N
• INCHI: 1S/C9H14N4O/c1-14-9-8(11-2-3-12-9)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
• Isomeric SMILES: COC1=NC=CN=C1N2CCNCC2
• PubChem CID: 91812179
• Molecular Weight: 194.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Methoxypyrazines Dialkylarylamines Aminopyrazines Alkyl aryl ethers Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Methoxypyrazine - Dialkylarylamine - Alkyl aryl ether - Aminopyrazine - Pyrazine - Imidolactam - Heteroaromatic compound - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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: 194.230 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 194.117 Da
• Monoisotopic Mass: 194.117 Da
• Topological Polar Surface Area: 50.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 172.000
• 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