5-(4-Methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine - ≥95% , CAS No.89292-91-1

CAS: 89292-91-1 Cat. No.: M195642 Peso molecular: 182.23

GRADE & PURITY ≥95%

Synonyms

FT-0646673 | DS-0973 | 5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine | AMY11090 | 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine | C7H14N6 | Oprea1_474505 | SCHEMBL9793417 | 5-(4-Methyl-piperazin-1-yl)-1H-[1,2,4]triazol-3-ylamine | AKOS00632644

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FT-0646673 | DS-0973 | 5-(4-methylpiperazin-1-yl)-1H-1, 2, 4-triazol-3-amine | AMY11090 | 3-(4-methylpiperazin-1-yl)-1H-1, 2, 4-triazol-5-amine | C7H14N6 | Oprea1_474505 | SCHEMBL9793417 | 5-(4-Methyl-piperazin-1-yl)-1H-[1, 2, 4]triazol-3-ylamine | AKOS00632644

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2=NNC(=N2)N
• IUPAC Name: 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
• InChIKey: OGKMRAGLDFHRGA-UHFFFAOYSA-N
• INCHI: 1S/C7H14N6/c1-12-2-4-13(5-3-12)7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11)
• Isómeros SMILES: CN1CCN(CC1)C2=NNC(=N2)N
• Peso molecular: 182.23
• Reaxy-Rn: 3546670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3546670&ln=

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: Dialkylarylamines N-methylpiperazines Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Dialkylarylamine - N-alkylpiperazine - N-methylpiperazine - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic nitrogen 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 100 - 110℃
• Peso molecular: 182.230 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.128 Da
• Monoisotopic Mass: 182.128 Da
• Topological Polar Surface Area: 74.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 166.000
• 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