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Diphenyl-1,2,4-triazin-3-amine - ≥97%, high purity , CAS No.4511-99-3
Basic Description
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
Aminotriazines
Intermediate Tree Nodes
Not available
Direct Parent
Aminotriazines
Alternative Parents
Benzene and substituted derivatives 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminotriazine - 1,2,4-triazine - Benzenoid - Monocyclic benzene moiety - 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5,6-diphenyl-1,2,4-triazin-3-amine
INCHI
InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19)
InChIKey
NZRHOWNFGASHMN-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3
PubChem CID
78268
Molecular Weight
248.29
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
248.280 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
248.106 Da
Monoisotopic Mass
248.106 Da
Topological Polar Surface Area
64.700 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
271.000
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
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