FX5

2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol

Created:	2018-08-10
Last modified:	2019-06-12

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3 entries where FX5 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of FX5

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Chemical Component Summary
Name	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
Systematic Name (OpenEye OEToolkits)	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
Formula	C₁₄ H₁₈ N₅ O
Molecular Weight	272.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O
Canonical SMILES	CACTVS	3.385	Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	SZKHGLTYXIDOFH-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	138393343

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