CQK

~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

Created:	2017-12-03
Last modified:	2018-12-12

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1 entries where CQK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of CQK

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Chemical Component Summary
Name	~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
Formula	C₇ H₆ N₆ O₂
Molecular Weight	206.162
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ONC(=O)c1cc(ccn1)c2n[nH]nn2
SMILES	OpenEye OEToolkits	2.0.6	c1cnc(cc1c2n[nH]nn2)C(=O)NO
Canonical SMILES	CACTVS	3.385	ONC(=O)c1cc(ccn1)c2n[nH]nn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cnc(cc1c2n[nH]nn2)C(=O)NO
InChI	InChI	1.03	InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13)
InChIKey	InChI	1.03	ICLVJVGNXROVLL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567437

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