N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}pyrazine-2-carboxamide - ≥98% , CAS No.3922-09-6

CAS: 3922-09-6 Cat. No.: N965485 Peso molecular: 265.310

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CCO)CNC(=O)C2=NC=CN=C2
• IUPAC Name: N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazine-2-carboxamide
• InChIKey: OOGQUDJCKXZPFY-UHFFFAOYSA-N
• INCHI: 1S/C12H19N5O2/c18-8-7-16-3-5-17(6-4-16)10-15-12(19)11-9-13-1-2-14-11/h1-2,9,18H,3-8,10H2,(H,15,19)
• Peso molecular: 265.310

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazinecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides N-alkylpiperazines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazinecarboxamide - 2-heteroaryl carboxamide - N-alkylpiperazine - 1,4-diazinane - Piperazine - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Alkanolamine - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Amine - Organic oxide - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide.
• 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

Propiedades químicas y físicas

• Peso molecular: 265.310 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 265.154 Da
• Monoisotopic Mass: 265.154 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 281.000
• 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