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3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole dihydrochloride - 97%, high purity , CAS No.1389264-31-6
Discover 3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole dihydrochloride by Aladdin Scientific in 97% for only $2,534.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1389264-31-6 | 3-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole hydrochloride | 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride | 3-Methyl-1,4,5,6-tetrahydropyrrolo-[3,4-c]pyrazole hydrochloride | SCHEMBL16060011 | BS-41638 | CS-0051280 | W19431 | 3-Meth
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrazoles
Alternative Parents
Aralkylamines Pyrroles Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrazole - Aralkylamine - Heteroaromatic compound - Pyrrole - Pyrazole - Azole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers.
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
3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride
INCHI
InChI=1S/C6H9N3.ClH/c1-4-5-2-7-3-6(5)9-8-4;/h7H,2-3H2,1H3,(H,8,9);1H
InChIKey
JYYAGGWXWLOABC-UHFFFAOYSA-N
Smiles
CC1=C2CNCC2=NN1.Cl
Isomeric SMILES
CC1=C2CNCC2=NN1.Cl
PubChem CID
73977855
Molecular Weight
196.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
159.620 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
159.056 Da
Monoisotopic Mass
159.056 Da
Topological Polar Surface Area
40.700 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
115.000
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
2
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