BWM

N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide

Created:2017-08-31
Last modified:  2017-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count11
2D diagram of BWM

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Chemical Component Summary

NameN-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide
Systematic Name (OpenEye OEToolkits)~{N}-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]ethanamide
FormulaC13 H16 N4 O
Molecular Weight244.292
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(c(n1c(nnc1C)C)ccc2)CNC(=O)C
SMILESCACTVS3.385CC(=O)NCc1ccccc1n2c(C)nnc2C
SMILESOpenEye OEToolkits2.0.6Cc1nnc(n1c2ccccc2CNC(=O)C)C
Canonical SMILESCACTVS3.385 CC(=O)NCc1ccccc1n2c(C)nnc2C
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1nnc(n1c2ccccc2CNC(=O)C)C
InChIInChI1.03 InChI=1S/C13H16N4O/c1-9-15-16-10(2)17(9)13-7-5-4-6-12(13)8-14-11(3)18/h4-7H,8H2,1-3H3,(H,14,18)
InChIKeyInChI1.03 FLTCDBPTYKZRMD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 131633051