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WPS

Summary
Name:5-amino-3-methyl-1H-pyrazole-4-carbonitrile
Formula:C5 H6 N4
Formal charge:0
Formula weight:122.128 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-amino-3-methyl-1H-pyrazole-4-carbonitrile
OpenEye OEToolkits2.0.75-azanyl-3-methyl-1~{H}-pyrazole-4-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1nc(c(C#N)c1N)C
InChIInChI1.03InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChIKeyInChI1.03CRRHJAMDQMQGKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1n[nH]c(N)c1C#N
SMILESCACTVS3.385Cc1n[nH]c(N)c1C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c([nH]n1)N)C#N
SMILESOpenEye OEToolkits2.0.7Cc1c(c([nH]n1)N)C#N

217705

PDB entries from 2024-03-27

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