NNL

N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine

Created:	2010-09-30
Last modified:	2012-02-27

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1 entries where NNL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of NNL

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Chemical Component Summary
Name	N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
Systematic Name (OpenEye OEToolkits)	N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
Formula	C₁₄ H₁₄ Cl N₅
Molecular Weight	287.747
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C
SMILES	CACTVS	3.370	Cc1cc(NCCc2ccc(Cl)cc2)c3nncn3n1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.370	Cc1cc(NCCc2ccc(Cl)cc2)c3nncn3n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3
InChIKey	InChI	1.03	ANMSXJNKBNFCTH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6493428
ChEMBL	CHEMBL1234778

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