7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine - ≥97% , CAS No.723286-80-4

CAS: 723286-80-4 Cat. No.: T194765 Molecular Weight: 303.16 EC Number: 829-197-9 PubChem CID: 17998723

GRADE & PURITY ≥97%

Synonyms

BCP19276 | FT-0644858 | SY006792 | 3-Bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | MFCD08448169 | tert-butyl 3-bromanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate | 7-Boc-3-bromo-5,6-dihydro-8H-[1,2,4]tr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BCP19276 | FT-0644858 | SY006792 | 3-Bromo-7-(tert-butoxycarbonyl)-5, 6, 7, 8-tetrahydro[1, 2, 4]triazolo[4, 3-a]pyrazine | MFCD08448169 | tert-butyl 3-bromanyl-6, 8-dihydro-5H-[1, 2, 4]triazolo[4, 3-a]pyrazine-7-carboxylate | 7-Boc-3-bromo-5, 6-dihydro-8H-[1, 2, 4]tr

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

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: CC(C)(C)OC(=O)N1CCN2C(=NN=C2Br)C1
• IUPAC Name: tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• InChIKey: SSOWVJRCWPTTLK-UHFFFAOYSA-N
• INCHI: 1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-13-8(15)11/h4-6H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN2C(=NN=C2Br)C1
• PubChem CID: 17998723
• Molecular Weight: 303.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyrazines
• Alternative Parents: Pyrazines Aryl bromides Triazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyrazine - Aryl bromide - Aryl halide - Pyrazine - Azole - Triazole - 1,2,4-triazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyrazines. These are compounds containing a triazole ring fused to a pyrazine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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: 303.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.038 Da
• Monoisotopic Mass: 302.038 Da
• Topological Polar Surface Area: 60.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 307.000
• 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