pyrrolo[2,1-f][1,2,4]triazin-4-amine - ≥97% , CAS No.159326-68-8

CAS: 159326-68-8 Cat. No.: P174580 Molecular Weight: 134.142 EC Number: 855-635-3 PubChem CID: 10441749

GRADE & PURITY ≥97%

Synonyms

BDBM50058690 | AM807056 | AKOS005206763 | pyrrolo[2,1-f][1,2,4]-triazin-4-amine | pyrrolo[2,1-f][1,2,4]triazin-4-amine | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol hydrochloride | 4-aminopyrrolo<2,1-f><1,2,4>triazine | A810019 | TS-01733 | DB

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BDBM50058690 | AM807056 | AKOS005206763 | pyrrolo[2, 1-f][1, 2, 4]-triazin-4-amine | pyrrolo[2, 1-f][1, 2, 4]triazin-4-amine | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1, 2-diol hydrochloride | 4-aminopyrrolo<2, 1-f><1, 2, 4>triazine | A810019 | TS-01733 | DB

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196663
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196663
• Canonical Smiles: C1=CN2C(=C1)C(=NC=N2)N
• IUPAC Name: pyrrolo[2,1-f][1,2,4]triazin-4-amine
• InChIKey: VSPXQZSDPSOPRO-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)
• Isomeric SMILES: C1=CN2C(=C1)C(=NC=N2)N
• PubChem CID: 10441749
• Molecular Weight: 134.142

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: Imidolactams 1,2,4-triazines Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,1-f][1,2,4]triazine - 1,2,4-triazine - Imidolactam - Triazine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 134.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059 Da
• Monoisotopic Mass: 134.059 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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