4-(Imidazo[1,2-a]pyrazin-2-yl)-1,2,5-oxadiazol-3-amine - ≥97% , CAS No.1031927-02-2

CAS: 1031927-02-2 Cat. No.: I189411 Molecular Weight: 202.17

GRADE & PURITY ≥97%

Synonyms

AKOS015855187 | 3-Amino-4-(imidazo[1,2-a]pyrazin-2-yl)-1,2,5-oxadiazole | 4-(Imidazo[1,2-a]pyrazin-2-yl)-1,2,5-oxadiazol-3-amine | 4-{imidazo[1,2-a]pyrazin-2-yl}-1,2,5-oxadiazol-3-amine | DTXSID50650130 | 3-AMINO-4-IMIDAZO[1,2-A]PYRAZIN-2-YL-1,2,5-OXADIAZ

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015855187 | 3-Amino-4-(imidazo[1, 2-a]pyrazin-2-yl)-1, 2, 5-oxadiazole | 4-(Imidazo[1, 2-a]pyrazin-2-yl)-1, 2, 5-oxadiazol-3-amine | 4-{imidazo[1, 2-a]pyrazin-2-yl}-1, 2, 5-oxadiazol-3-amine | DTXSID50650130 | 3-AMINO-4-IMIDAZO[1, 2-A]PYRAZIN-2-YL-1, 2, 5-OXADIAZ

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN2C=C(N=C2C=N1)C3=NON=C3N
• IUPAC Name: 4-imidazo[1,2-a]pyrazin-2-yl-1,2,5-oxadiazol-3-amine
• InChIKey: YZWLTQHMDOCNGL-UHFFFAOYSA-N
• INCHI: 1S/C8H6N6O/c9-8-7(12-15-13-8)5-4-14-2-1-10-3-6(14)11-5/h1-4H,(H2,9,13)
• Isomeric SMILES: C1=CN2C=C(N=C2C=N1)C3=NON=C3N
• Molecular Weight: 202.17
• Reaxy-Rn: 33071774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33071774&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: Pyrazines N-substituted imidazoles Imidolactams Heteroaromatic compounds Furazans Oxacyclic compounds Azacyclic compounds Primary amines Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - N-substituted imidazole - Pyrazine - Imidolactam - Azole - Furazan - Imidazole - Oxadiazole - Heteroaromatic compound - Azacycle - Oxacycle - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - 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: 202.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 202.06 Da
• Monoisotopic Mass: 202.06 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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