J5Z

5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

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1 entries where J5Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

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Chemical Component Summary
Name	5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)	5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula	C₁₃ H₁₀ F₃ N₅
Molecular Weight	293.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	FC(F)(F)c1ccc(cc1)Nc2cc(nc3ncnn23)C
SMILES	CACTVS	3.352	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F
Canonical SMILES	CACTVS	3.352	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n3ncnc3n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
InChIKey	InChI	1.03	LRHHXKBKRNNFRV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08008
Name	5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Groups	experimental
Synonyms	5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydroorotate dehydrogenase (quinone), mitochondrial	MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682