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Summary Geometry Related PDB entries

XFY

Summary

Name:	(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Formula:	C17 H15 N5 O2
Formal charge:	0
Formula weight:	321.333 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
OpenEye OEToolkits	2.0.7	~{N}-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(cc(OC)c1)Nc1nc2ccccc2n2cnnc12
InChI	InChI	1.06	InChI=1S/C17H15N5O2/c1-23-12-7-11(8-13(9-12)24-2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20)
InChIKey	InChI	1.06	UWXDWSPCLZGLPQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Nc2nc3ccccc3n4cnnc24)cc(OC)c1
SMILES	CACTVS	3.385	COc1cc(Nc2nc3ccccc3n4cnnc24)cc(OC)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1)OC)Nc2c3nncn3c4ccccc4n2
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1)OC)Nc2c3nncn3c4ccccc4n2

250835

PDB entries from 2026-03-18

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