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Home> Hot Product Listed 2   > 2-[2-[(2-Ethoxy-3-pyridinyl)oxy]ethoxy]-3-[(2R)-2-methyl-1-piperazinyl]pyrazine
123363-55-3 structure

2-[2-[(2-Ethoxy-3-pyridinyl)oxy]ethoxy]-3-[(2R)-2-methyl-1-piperazinyl]pyrazine

Iupac Name:N,2-dimethyl-3H-pyrazolo[1,5-b][1,2,4]triazol-6-amine
CAS No.:123363-55-3
Molecular Weight:151.173
Molecular Formula:C13H19NO4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H9N5/c1-4-8-6-3-5(7-2)10-11(6)9-4/h3H,1-2H3,(H,7,10)(H,8,9)
InChkey
GWAWELGHMCAPHV-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=CC(=NN2N1)NC
Properties
Boiling Point
40 C (other sources give 108 C; presumably40 C is at reduced pressure)
Flash Point
242.1°C
Computational chemical data
  • Molecular Weight:151.173g/mol
  • Molecular Formula:C13H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:151.086
  • Monoisotopic Mass:151.086
  • Complexity:150
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjgAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAWAAAB4AAAHAAYAAAACACBEwQzsJ7rEACi ACJiZACQhCuBAqAVMKA4ZBCACABASEAEhAgQGALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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