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1-{4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-3-methyl-1H-1,2,4-triazole - 97%, high purity , CAS No.676491-46-6
Discover 1-{4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-3-methyl-1H-1,2,4-triazole by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
676491-46-6 | 4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine | 1H-Pyrrolo[2,3-c]pyridine, 4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)- | 4-Methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine | 1-{4-methoxy-1H-pyrrolo[2,3-c]p
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridyltriazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Pyrrolopyridines Alkyl aryl ethers Triazoles Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridyl-1,2,4-triazole - Pyrrolopyridine - Alkyl aryl ether - Azole - Pyrrole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Ether - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole 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.
Names and Identifiers
IUPAC Name
4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
INCHI
InChI=1S/C11H11N5O/c1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11/h3-6,12H,1-2H3
InChIKey
UDEUJLHVKKTHFA-UHFFFAOYSA-N
Smiles
CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3)OC
Isomeric SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3)OC
Molecular Weight
229.243
Reaxy-Rn
14223888
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14223888&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.240 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
229.096 Da
Monoisotopic Mass
229.096 Da
Topological Polar Surface Area
68.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
277.000
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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