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1,5-Dimethyl-6-phenyl-1,2-dihydro-1,2,4-triazin-3(2H)-one
PHCD compound ID : 2650
Chemical Names :
1,5-Dimethyl-6-phenyl-1,2-dihydro-1,2,4-triazin-3(2H)-one
Molecular Formula : C11H13N3O1
Molecular Weight : 203.105862
More Details :
Names & Synonyms:
Smiles: CN1NC(=O)N=C([C@@H]1c1ccccc1)C
InChi : InChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)14(2)13-11(15)12-8/h3-7,10H,1-2H3,(H,13,15)/t10-/m1/s1
InChi Key : InChIKey=JYVVJFMTYCYKDA-SNVBAGLBSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.054841
Hydrogen bond donor count : 1 Electric dipole moment : 6.965
XLogP : 0.02 VDW volume : 191.797586
Molecular weight : 203.105862 HOMO-LUMO gap : 8.675000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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