6-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine - ≥97% , CAS No.939807-80-4

CAS: 939807-80-4 Cat. No.: C683044 Molecular Weight: 168.58 PubChem CID: 55297731

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: 0.7

Names and Identifiers

• Canonical Smiles: C1=C2C(=NC=NN2C=C1Cl)N
• InChIKey: QVUPXJKWAPPSNF-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN4/c7-4-1-5-6(8)9-3-10-11(5)2-4/h1-3H,(H2,8,9,10)
• Isomeric SMILES: C1=C2C(=NC=NN2C=C1Cl)N
• PubChem CID: 55297731
• Molecular Weight: 168.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolotriazines
      • Subclass Pyrrolo[2,1-f][1,2,4]triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolotriazines
• Subclass: Pyrrolo[2,1-f][1,2,4]triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,1-f][1,2,4]triazines
• Alternative Parents: Substituted pyrroles Imidolactams Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,1-f][1,2,4]triazine - Aryl chloride - Aryl halide - 1,2,4-triazine - Imidolactam - Triazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole 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