3-(2-pyridyl)pyrido[1,2-a][1,3,5]triazine-2,4-dione - ≥97% , CAS No.18510-73-1

CAS: 18510-73-1 Cat. No.: P630837 Peso molecular: 240.22 PubChem CID: 2794520

GRADE & PURITY ≥97%

Synonyms

18510-73-1 | 3-(2-Pyridyl)-2H-pyrido[1,2-a]-s-triazine-2,4(3H)-dione | 3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione | SCHEMBL9811893 | 3-(2-pyridyl)pyrido[1,2-a][1,3,5]triazine-2,4-dione | AKOS000279369 | F89509 | J-011863 | 3-(pyridin-2-yl)-2H-py

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

18510-73-1 | 3-(2-Pyridyl)-2H-pyrido[1, 2-a]-s-triazine-2, 4(3H)-dione | 3-pyridin-2-ylpyrido[1, 2-a][1, 3, 5]triazine-2, 4-dione | SCHEMBL9811893 | 3-(2-pyridyl)pyrido[1, 2-a][1, 3, 5]triazine-2, 4-dione | AKOS000279369 | F89509 | J-011863 | 3-(pyridin-2-yl)-2H-py

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=NC(=C1)N2C(=O)N=C3C=CC=CN3C2=O
• IUPAC Name: 3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
• InChIKey: QWCFGQWRKCDRBZ-UHFFFAOYSA-N
• INCHI: 1S/C12H8N4O2/c17-11-14-10-6-2-4-8-15(10)12(18)16(11)9-5-1-3-7-13-9/h1-8H
• Isómeros SMILES: C1=CC=NC(=C1)N2C(=O)N=C3C=CC=CN3C2=O
• PubChem CID: 2794520
• Peso molecular: 240.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: Pyridines and derivatives 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Pyridine - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• 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: 240.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.065 Da
• Monoisotopic Mass: 240.065 Da
• Topological Polar Surface Area: 65.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 480.000
• 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