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8-Chloro-2-ethylimidazol[1,2-a]pyrazine , CAS No.391954-17-9
Basic Description
Synonyms
8-chloro-2-ethylimidazo[1,2-a]pyrazine | 391954-17-9 | 8-Chloro-2-ethylimidazol[1,2-a]pyrazine | MFCD10699213 | SCHEMBL2871017 | DTXSID30477044 | VLICETQWBPEXNS-UHFFFAOYSA-N | AKOS006303922 | PB22432 | AS-50736 | SY318835 | CS-0054700 | FT-0685153 | P10988 | J-519417
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazopyrazines
Alternative Parents
Pyrazines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyrazine - Pyrazine - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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.
Names and Identifiers
IUPAC Name
8-chloro-2-ethylimidazo[1,2-a]pyrazine
INCHI
InChI=1S/C8H8ClN3/c1-2-6-5-12-4-3-10-7(9)8(12)11-6/h3-5H,2H2,1H3
InChIKey
VLICETQWBPEXNS-UHFFFAOYSA-N
Smiles
CCC1=CN2C=CN=C(C2=N1)Cl
Isomeric SMILES
CCC1=CN2C=CN=C(C2=N1)Cl
Molecular Weight
181.62
Reaxy-Rn
13904706
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13904706&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
181.620 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
181.041 Da
Monoisotopic Mass
181.041 Da
Topological Polar Surface Area
30.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
164.000
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
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