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6-Amino-1-(tetrahydropyranyl)-1H-indazole , CAS No.1053655-59-6
Discover 6-Amino-1-(tetrahydropyranyl)-1H-indazole by Aladdin Scientific in for only $338.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1053655-59-6 | 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine | 1-(oxan-2-yl)indazol-6-amine | 6-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole | 1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine | 6-Amino-1-(tetrahydropyranyl)-1H-indazole | 1-(Oxan-2-yl)-1H-indazol-6-
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Oxanes Benzenoids Pyrazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Oxane - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Oxacycle - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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
1-(oxan-2-yl)indazol-6-amine
INCHI
InChI=1S/C12H15N3O/c13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
InChIKey
BVMGAUOJVUEFSV-UHFFFAOYSA-N
Smiles
C1CCOC(C1)N2C3=C(C=CC(=C3)N)C=N2
Isomeric SMILES
C1CCOC(C1)N2C3=C(C=CC(=C3)N)C=N2
Molecular Weight
217.27
Reaxy-Rn
20139829
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20139829&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.270 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
217.122 Da
Monoisotopic Mass
217.122 Da
Topological Polar Surface Area
53.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
248.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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