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ScientificNameLabel
5-Amino-4-cyano-3-(4-ethylaminobutyl) pyrasole
PHCD compound ID : 412
Chemical Names :
5-Amino-4-cyano-3-(4-ethylaminobutyl) pyrasole
Molecular Formula : C10H17N5
Molecular Weight : 207.148396
More Details :
Names & Synonyms:
Smiles: CCNCCCCc1n[nH]c(c1C#N)N
InChi : InChI=1S/C10H17N5/c1-2-13-6-4-3-5-9-8(7-11)10(12)15-14-9/h13H,2-6H2,1H3,(H3,12,14,15)
InChi Key : InChIKey=ZMTIMSJUYPDINC-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.888449
Hydrogen bond donor count : 3 Electric dipole moment : 4.626
XLogP : 0.872 VDW volume : 202.697812
Molecular weight : 207.148396 HOMO-LUMO gap : 8.786000
Herb list :
Refrences & Litretures:
  
24.      Journal:'J. Iran. Chem. Soc'      Year:'2010'      Volume:'7'      Page:'216'      DOI:''      Title:'Chemical Composition and In vitro Antioxidant and Antidiabetic Activities of Eucalyptus Camaldulensis Dehnh. Essential Oil'
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