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5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine - 98%, high purity , CAS No.7135-02-6
Basic Description
Synonyms
2-Amino-5,7-dimethyl-S-triazolo[1,5-a]pyrimidine | STK249780 | NSC106484 | NSC-106484 | Z57039689 | SR-01000388967 | 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2 -ylamine | 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylamine | 5,7-Dimethyl[1,2,4]tria
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Pyrimidine - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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.
Product Properties
pKa
pKₐ: 4.22 (Predicted)
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488189166
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488189166
IUPAC Name
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
INCHI
InChI=1S/C7H9N5/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKey
PKNZUAYXDJNFPY-UHFFFAOYSA-N
Smiles
CC1=CC(=NC2=NC(=NN12)N)C
Isomeric SMILES
CC1=CC(=NC2=NC(=NN12)N)C
Molecular Weight
163.18
Reaxy-Rn
145868
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=145868&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.76
Melt Point(°C)
360-363° C
Molecular Weight
163.180 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
163.086 Da
Monoisotopic Mass
163.086 Da
Topological Polar Surface Area
69.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
173.000
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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