6-methyl-2H-1,2,4-triazin-5-one - ≥97% , CAS No.16120-00-6

CAS: 16120-00-6 Cat. No.: M629825 Peso molecular: 111.1 Número EC: 696-603-7 PubChem CID: 135464495

GRADE & PURITY ≥97%

Synonyms

AKOS040694839 | SCHEMBL11388476 | 1,2,4-Triazin-5(4H)-one, 6-methyl- | 6-methyl-4H-1,2,4-triazin-5-one | SCHEMBL21891497 | 6-methyl-2H-1,2,4-triazin-5-one | SB73526 | 6-METHYL-2,5-DIHYDRO-1,2,4-TRIAZIN-5-ONE | SS-4457 | A911355 | AKOS006309528 | D79535 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS040694839 | SCHEMBL11388476 | 1, 2, 4-Triazin-5(4H)-one, 6-methyl- | 6-methyl-4H-1, 2, 4-triazin-5-one | SCHEMBL21891497 | 6-methyl-2H-1, 2, 4-triazin-5-one | SB73526 | 6-METHYL-2, 5-DIHYDRO-1, 2, 4-TRIAZIN-5-ONE | SS-4457 | A911355 | AKOS006309528 | D79535 |

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=NN=CNC1=O
• IUPAC Name: 6-methyl-4H-1,2,4-triazin-5-one
• InChIKey: PDWZJMKDSKSWMD-UHFFFAOYSA-N
• INCHI: 1S/C4H5N3O/c1-3-4(8)5-2-6-7-3/h2H,1H3,(H,5,6,8)
• Isómeros SMILES: CC1=NN=CNC1=O
• CAS alternativo: 16120-00-6
• PubChem CID: 135464495
• Peso molecular: 111.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
• 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: 111.100 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 111.043 Da
• Monoisotopic Mass: 111.043 Da
• Topological Polar Surface Area: 53.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 170.000
• 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