89J

2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one

Created:	2017-01-12
Last modified:	2017-06-28

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1 entries where 89J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of 89J

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Chemical Component Summary
Name	2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one
Systematic Name (OpenEye OEToolkits)	2-methyl-5-(methylamino)-6-phenyl-pyridazin-3-one
Formula	C₁₂ H₁₃ N₃ O
Molecular Weight	215.251
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccccc1C=2C(=CC(N(C)N=2)=O)NC
SMILES	CACTVS	3.385	CNC1=CC(=O)N(C)N=C1c2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CNC1=CC(=O)N(N=C1c2ccccc2)C
Canonical SMILES	CACTVS	3.385	CNC1=CC(=O)N(C)N=C1c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNC1=CC(=O)N(N=C1c2ccccc2)C
InChI	InChI	1.03	InChI=1S/C12H13N3O/c1-13-10-8-11(16)15(2)14-12(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKey	InChI	1.03	ZRCCUVSDZQJQEX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24043179
ChEMBL	CHEMBL4068525

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