GRADE & PURITY ≥97%

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Product Properties

• ALogP: -0.4

Names and Identifiers

• Canonical Smiles: C1=NC=NC(=N1)N
• IUPAC Name: 1,3,5-triazin-2-amine
• InChIKey: KCZIUKYAJJEIQG-UHFFFAOYSA-N
• INCHI: 1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
• Isomeric SMILES: C1=NC=NC(=N1)N
• Molecular Weight: 96.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotriazines
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine 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

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Flash Point(°C): 182.2ºC
• Boil Point(°C): 334°C at 760 mmHg
• Molecular Weight: 96.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 96.0436 Da
• Monoisotopic Mass: 96.0436 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.900
• 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