FX5

?

Summary

Name:2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
Formula:C14 H18 N5 O
Formal charge:1
Molecular weight:272.326 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)/p+1
InChIKeyInChI1.03SZKHGLTYXIDOFH-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
SMILESCACTVS3.385Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O