2-[4-(2-Pyrimidyl)-1-piperazinyl]acetohydrazide - ≥95% , CAS No.1495336-65-6

CAS: 1495336-65-6 Cat. No.: P1018117 Peso molecular: 236.270

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CC(=O)NN)C2=NC=CC=N2
• IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
• InChIKey: VRYDLMFELWBDSY-UHFFFAOYSA-N
• INCHI: 1S/C10H16N6O/c11-14-9(17)8-15-4-6-16(7-5-15)10-12-2-1-3-13-10/h1-3H,4-8,11H2,(H,14,17)
• Peso molecular: 236.270

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: N-piperazineacetamides Alpha amino acids and derivatives Dialkylarylamines N-alkylpiperazines Aminopyrimidines and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid hydrazide - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 236.270 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 236.139 Da
• Monoisotopic Mass: 236.139 Da
• Topological Polar Surface Area: 87.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 247.000
• 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