J2T

N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine

Created:	2013-05-18
Last modified:	2013-09-18

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1 entries where J2T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	16

2D diagram of J2T

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Chemical Component Summary
Name	N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
Systematic Name (OpenEye OEToolkits)	N-(2,3-dihydro-1H-inden-5-yl)-[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-amine
Formula	C₁₃ H₁₂ N₆
Molecular Weight	252.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(ccc2nnnn12)Nc3cc4c(cc3)CCC4
SMILES	CACTVS	3.370	C1Cc2ccc(Nc3ccc4nnnn4n3)cc2C1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2
Canonical SMILES	CACTVS	3.370	C1Cc2ccc(Nc3ccc4nnnn4n3)cc2C1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2
InChI	InChI	1.03	InChI=1S/C13H12N6/c1-2-9-4-5-11(8-10(9)3-1)14-12-6-7-13-15-17-18-19(13)16-12/h4-8H,1-3H2,(H,14,16)
InChIKey	InChI	1.03	XUXHXRTXDKMOCI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17431492

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