XEZ

6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE

Created:2010-05-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count31
Aromatic Bond Count22
2D diagram of XEZ

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Chemical Component Summary

Name6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Systematic Name (OpenEye OEToolkits)3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
FormulaC12 H9 N7
Molecular Weight251.247
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4
SMILESCACTVS3.352[nH]1ccc(n1)c2cnc3cnc(cn23)c4c[nH]nc4
SMILESOpenEye OEToolkits1.6.1c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4
Canonical SMILESCACTVS3.352 [nH]1ccc(n1)c2cnc3cnc(cn23)c4c[nH]nc4
Canonical SMILESOpenEye OEToolkits1.6.1 c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4
InChIInChI1.03 InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17)
InChIKeyInChI1.03 ALMSMDKNGFZAEU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46911673
ChEMBL CHEMBL1236804