JZ8

5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium

Created:	2009-07-17
Last modified:	2011-06-04

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2 entries where JZ8 is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	21

2D diagram of JZ8

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Chemical Component Summary
Name	5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
Systematic Name (OpenEye OEToolkits)	5-methyl-N-naphthalen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium-7-amine
Formula	C₁₆ H₁₅ N₅
Molecular Weight	277.324
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C
SMILES	CACTVS	3.352	Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3
Canonical SMILES	CACTVS	3.352	Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3
InChI	InChI	1.03	InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2
InChIKey	InChI	1.03	GNJXIZOPHGMAQW-UHFFFAOYSA-P

Related Resource References

Resource Name	Reference
PubChem	49867180
CCDC/CSD	OCEQIZ

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