2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine (CHEBI:183766)

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CHEBI:183766 - 2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine

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ChEBI ID	CHEBI:183766
ChEBI Name	2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H9N5
Net Charge	0
Average Mass	223.239
Monoisotopic Mass	223.08580
SMILES	c1ccc(-c2nnc(-c3ccncc3)n2)nc1
InChI	InChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChIKey	WOFXUCJTFGKKIF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bombus terrestris (ncbitaxon:30195)
	hindgut (BTO:0000510)	MetaboLights (MTBLS3637)
	brain (BTO:0000142)	MetaboLights (MTBLS3637)
	hemolymph (BTO:0000572)	MetaboLights (MTBLS3637)

ChEBI Ontology

Outgoing Relation(s)
	2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine (CHEBI:183766) is a triazoles (CHEBI:35727)

IUPAC Name
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

Manual Xrefs	Databases
2081836	ChemSpider