Ethyl imidazo[1,2-a]pyrazine-3-carboxylate - ≥97% , CAS No.1286754-14-0

CAS: 1286754-14-0 Cat. No.: E586913 Molecular Weight: 191.19 EC Number: 984-444-9

GRADE & PURITY ≥97%

Synonyms

Z2044813980 | Midazo [1,2-B] pyrazin-3 - carboxylic acid ethyl ester | DS-18866 | ethyl imidazo[1,2-a]pyrazine-3-carboxylate | Imidazo [1,2-B] pyrazin-3 - carboxylic acid ethyl ester | MFCD28142909 | SCHEMBL10025571 | AKOS027422798 | SQLWTMXBSLVISZ-UHFFFA

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Z2044813980 | Midazo [1, 2-B] pyrazin-3 - carboxylic acid ethyl ester | DS-18866 | ethyl imidazo[1, 2-a]pyrazine-3-carboxylate | Imidazo [1, 2-B] pyrazin-3 - carboxylic acid ethyl ester | MFCD28142909 | SCHEMBL10025571 | AKOS027422798 | SQLWTMXBSLVISZ-UHFFFA

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CN=C2N1C=CN=C2
• IUPAC Name: ethyl imidazo[1,2-a]pyrazine-3-carboxylate
• InChIKey: SQLWTMXBSLVISZ-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3O2/c1-2-14-9(13)7-5-11-8-6-10-3-4-12(7)8/h3-6H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=CN=C2N1C=CN=C2
• Molecular Weight: 191.19
• Reaxy-Rn: 23546637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23546637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: Carbonylimidazoles Pyrazines N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Imidazole-4-carbonyl group - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 191.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.069 Da
• Monoisotopic Mass: 191.069 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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