CHEBI:94309 - 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline

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ChEBI Name 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
ChEBI ID CHEBI:94309
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H11N5S
Net Charge 0
Average Mass 245.305
Monoisotopic Mass 245.07352
InChI InChI=1S/C11H11N5S/c1-2-9-13-14-11-16(9)15-10(17-11)7-3-5-8(12)6-4-7/h3-6H,2,12H2,1H3
InChIKey GAJKVTDZIAHPIA-UHFFFAOYSA-N
SMILES CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CHEBI:94309) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-4945 LINCS
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