1P0

2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol

Created:2013-04-18
Last modified:  2014-10-22

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count54
Aromatic Bond Count15
2D diagram of 1P0

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Chemical Component Summary

Name2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol
Systematic Name (OpenEye OEToolkits)2-[4-[[bis[[1-(2-hydroxyethyl)-1,2,3-triazol-4-yl]methyl]amino]methyl]-1,2,3-triazol-1-yl]ethanol
FormulaC15 H24 N10 O3
Molecular Weight392.416
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCn1nnc(c1)CN(Cc2nnn(c2)CCO)Cc3nnn(c3)CCO
SMILESCACTVS3.370OCCn1cc(CN(Cc2cn(CCO)nn2)Cc3cn(CCO)nn3)nn1
SMILESOpenEye OEToolkits1.7.6c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO
Canonical SMILESCACTVS3.370 OCCn1cc(CN(Cc2cn(CCO)nn2)Cc3cn(CCO)nn3)nn1
Canonical SMILESOpenEye OEToolkits1.7.6 c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO
InChIInChI1.03 InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2
InChIKeyInChI1.03 UBECCOXTPTYDBC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 85325312