W0J

(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

Created:	2020-09-24
Last modified:	2021-01-13

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3 entries where W0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	6

2D diagram of W0J

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Chemical Component Summary
Name	(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
Systematic Name (OpenEye OEToolkits)	(3~{R})-~{N}-methyl-1-pyridazin-3-yl-piperidin-3-amine
Formula	C₁₀ H₁₆ N₄
Molecular Weight	192.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCCC(C1)NC)c2nnccc2
SMILES	CACTVS	3.385	CN[CH]1CCCN(C1)c2cccnn2
SMILES	OpenEye OEToolkits	2.0.7	CNC1CCCN(C1)c2cccnn2
Canonical SMILES	CACTVS	3.385	CN[C@@H]1CCCN(C1)c2cccnn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN[C@@H]1CCCN(C1)c2cccnn2
InChI	InChI	1.03	InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
InChIKey	InChI	1.03	QLSDWIHANVSIEK-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	94476470

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.