L5V

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine

Created:2013-10-18
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count11
2D diagram of L5V

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Chemical Component Summary

Name2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
Systematic Name (OpenEye OEToolkits)2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
FormulaC6 H4 Cl N5
Molecular Weight181.582
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2nc(c1ncnn1)cnc2
SMILESCACTVS3.385Clc1cncc(n1)c2n[nH]cn2
SMILESOpenEye OEToolkits1.9.2c1c(nc(cn1)Cl)c2nc[nH]n2
Canonical SMILESCACTVS3.385 Clc1cncc(n1)c2n[nH]cn2
Canonical SMILESOpenEye OEToolkits1.9.2 c1c(nc(cn1)Cl)c2nc[nH]n2
InChIInChI1.03 InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKeyInChI1.03 KOARCKONUFDYQJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 57170188
ChEMBL CHEMBL3099705