1-{imidazo[1,2-a]pyrazin-3-yl}ethan-1-one - ≥97% , CAS No.78109-26-9

CAS: 78109-26-9 Cat. No.: E634535 Peso molecular: 161.16 PubChem CID: 5252045

GRADE & PURITY ≥97%

Synonyms

1-(Imidazo[1,2-a]pyrazin-3-yl)ethanone | 78109-26-9 | 1-imidazo[1,2-a]pyrazin-3-ylethanone | Ethanone, 1-imidazo[1,2-a]pyrazin-3-yl- (9CI) | 1-{imidazo[1,2-a]pyrazin-3-yl}ethan-1-one | SCHEMBL1203406 | MFCD18829616 | AKOS022714815 | PB43461 | BS-18151 | C

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(Imidazo[1, 2-a]pyrazin-3-yl)ethanone | 78109-26-9 | 1-imidazo[1, 2-a]pyrazin-3-ylethanone | Ethanone, 1-imidazo[1, 2-a]pyrazin-3-yl- (9CI) | 1-{imidazo[1, 2-a]pyrazin-3-yl}ethan-1-one | SCHEMBL1203406 | MFCD18829616 | AKOS022714815 | PB43461 | BS-18151 | C

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1=CN=C2N1C=CN=C2
• IUPAC Name: 1-imidazo[1,2-a]pyrazin-3-ylethanone
• InChIKey: HBDVLCJBSKMBHQ-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O/c1-6(12)7-4-10-8-5-9-2-3-11(7)8/h2-5H,1H3
• Isómeros SMILES: CC(=O)C1=CN=C2N1C=CN=C2
• PubChem CID: 5252045
• Peso molecular: 161.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: Aryl alkyl ketones Carbonylimidazoles Pyrazines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Aryl ketone - Aryl alkyl ketone - Imidazole-4-carbonyl group - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Ketone - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 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: 161.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.059 Da
• Monoisotopic Mass: 161.059 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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