A1BLJ

6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine

Created:	2024-12-16
Last modified:	2024-12-25

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1 entries where A1BLJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of A1BLJ

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Chemical Component Summary
Name	6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine
Systematic Name (OpenEye OEToolkits)	6-chloranyl-~{N},~{N}-dimethyl-5-pyridin-4-yl-pyridazin-3-amine
Formula	C₁₁ H₁₁ Cl N₄
Molecular Weight	234.685
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CN(C)c1cc(c2ccncc2)c(Cl)nn1
SMILES	CACTVS	3.385	CN(C)c1cc(c(Cl)nn1)c2ccncc2
SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)c1cc(c(nn1)Cl)c2ccncc2
Canonical SMILES	CACTVS	3.385	CN(C)c1cc(c(Cl)nn1)c2ccncc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)c1cc(c(nn1)Cl)c2ccncc2
InChI	InChI	1.06	InChI=1S/C11H11ClN4/c1-16(2)10-7-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3
InChIKey	InChI	1.06	TXDDCILZWXYXEH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90427749

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.