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ScientificNameLabel
Propanamide.N-(7-hydroxy-5-phenyl-1.2.4-triazolo[1.5-a]pyrimidin-2-yl)-
PHCD compound ID : 3789
Chemical Names :
Propanamide.N-(7-hydroxy-5-phenyl-1.2.4-triazolo[1.5-a]pyrimidin-2-yl)-
Molecular Formula : C14H13N5O2
Molecular Weight : 283.106925
More Details :
Names & Synonyms:
Smiles: CCC(=O)Nc1nc2n(n1)c(O)cc(n2)c1ccccc1
InChi : InChI=1S/C14H13N5O2/c1-2-11(20)16-13-17-14-15-10(8-12(21)19(14)18-13)9-6-4-3-5-7-9/h3-8,21H,2H2,1H3,(H,16,18,20)
InChi Key : InChIKey=UNKXGUKGIICALS-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.241940
Hydrogen bond donor count : 2 Electric dipole moment : 5.323
XLogP : 2.457 VDW volume : 232.403452
Molecular weight : 283.106925 HOMO-LUMO gap : 8.223000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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