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Ethyl 4-hydroxy-5-methylpyrrolo[1,2-f][1,2,4] triazine-6-carboxylate - 97% , high purity , CAS No.427878-70-4

COA

Grade & Purity:

≥97%

Cas Number: 427878-70-4
Molecular Weight: 221.22
PubChem CID: 135438448

In stock

Item Number

E170316

Grouped product items
SKU	Size	Availability	Price
E170316-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
E170316-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
E170316-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$236.90
E170316-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$986.90

Discover Ethyl 4-hydroxy-5-methylpyrrolo[1,2-f][1,2,4] triazine-6-carboxylate by Aladdin Scientific in 97% for only $17.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	427878-70-4 \| Ethyl 5-methyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate \| C10H11N3O3 \| Ethyl 5-methyl-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylate \| ETHYL 4-HYDROXY-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE \| ETHYL 5-METH
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Pyrrole carboxylic acids and derivatives Substituted pyrroles 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolo[2,1-f][1,2,4]triazine - Pyrrole-3-carboxylic acid or derivatives - 1,2,4-triazine - Triazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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
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	ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
INCHI	InChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKey	XCUHVGKOOKXZNK-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CN2C(=C1C)C(=O)NC=N2
Isomeric SMILES	CCOC(=O)C1=CN2C(=C1C)C(=O)NC=N2
Molecular Weight	221.22
Reaxy-Rn	10162668
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10162668&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	221.210 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	221.08 Da
Monoisotopic Mass	221.08 Da
Topological Polar Surface Area	72.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	342.000
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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