QP8

tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

Created:	2020-07-15
Last modified:	2021-03-01

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1 entries where QP8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of QP8

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Chemical Component Summary
Name	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Synonyms	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Systematic Name (OpenEye OEToolkits)	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Formula	C₁₉ H₂₅ N₅ O₃
Molecular Weight	371.434
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
Canonical SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
InChI	InChI	1.03	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
InChIKey	InChI	1.03	AQTNUGRRZDRZIA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137045929

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.