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(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid - 95%, high purity , CAS No.851116-20-6

COA

Grade & Purity:

≥95%

Cas Number: 851116-20-6
Molecular Weight: 206.2
PubChem CID: 4962380

In stock

Item Number

D187098

Grouped product items
SKU	Size	Availability	Price	Qty
D187098-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,632.90

Discover (5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid by Aladdin Scientific in 95% for only $1,632.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	851116-20-6 \| 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid \| (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid \| 2-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid \| SCHEMBL13953993 \| DTXSID50407080 \| HMS1732G16 \| 5,7-Dimet
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazolopyrimidines

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 Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Triazolopyrimidine - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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
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

Names and Identifiers

IUPAC Name	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
INCHI	InChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)
InChIKey	OXMKLBYGIXUDJP-UHFFFAOYSA-N
Smiles	CC1=C(C(=NC2=NC=NN12)C)CC(=O)O
Isomeric SMILES	CC1=C(C(=NC2=NC=NN12)C)CC(=O)O
Molecular Weight	206.2
Reaxy-Rn	32948242
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32948242&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.200 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	206.08 Da
Monoisotopic Mass	206.08 Da
Topological Polar Surface Area	80.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	260.000
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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