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TA5

Summary
Name:2H-1,2,3-TRIAZOL-4-YLMETHANOL
Formula:C3 H5 N3 O
Formal charge:0
Formula weight:99.091 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042H-1,2,3-triazol-4-ylmethanol
OpenEye OEToolkits1.5.02H-1,2,3-triazol-4-ylmethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCc1nnnc1
SMILES_CANONICALCACTVS3.341OCc1cn[nH]n1
SMILESCACTVS3.341OCc1cn[nH]n1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(n[nH]n1)CO
SMILESOpenEye OEToolkits1.5.0c1c(n[nH]n1)CO
InChIInChI1.03InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)
InChIKeyInChI1.03OADYBXHYXPEGHX-UHFFFAOYSA-N

222036

PDB entries from 2024-07-03

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