3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine - ≥97% , CAS No.1320267-01-3

CAS: 1320267-01-3 Cat. No.: T682820 Molecular Weight: 316.14 EC Number: 160-316-0 PubChem CID: 68263735

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Product Properties

• ALogP: 2.8

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=NC(=C2N1C=CN=C2N)I
• InChIKey: HRFSFNTVWAKTSW-UHFFFAOYSA-N
• INCHI: 1S/C10H13IN4/c1-10(2,3)9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13)
• Isomeric SMILES: CC(C)(C)C1=NC(=C2N1C=CN=C2N)I
• PubChem CID: 68263735
• Molecular Weight: 316.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazo[1,5-a]pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazo[1,5-a]pyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,5-a]pyrazines
• Alternative Parents: Aminopyrazines N-substituted imidazoles Imidolactams Aryl iodides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,5-a]pyrazine - Aminopyrazine - Imidolactam - Pyrazine - N-substituted imidazole - Aryl iodide - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazo[1,5-a]pyrazines. These are aromatic heteropolycyclic compounds containing an imidazole ring fused to and sharing one nitrogen with a pyrazine ring.
• 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: 316.140 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.018 Da
• Monoisotopic Mass: 316.018 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• 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