KQK

~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

Created:	2019-06-18
Last modified:	2019-06-26

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1 entries where KQK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of KQK

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Chemical Component Summary
Name	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula	C₁₂ H₁₂ N₆
Molecular Weight	240.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)c1nccc(n1)c2cnn3ncccc23
SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1nccc(n1)c2cnn3c2cccn3
Canonical SMILES	CACTVS	3.385	CN(C)c1nccc(n1)c2cnn3ncccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1nccc(n1)c2cnn3c2cccn3
InChI	InChI	1.03	InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3
InChIKey	InChI	1.03	IFLBFWBMAWIBBZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138454302

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.