Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

Q2O

Summary
Name:1-methyl-1H-pyrazol-5-amine
Formula:C4 H7 N3
Formal charge:0
Formula weight:97.118 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-methyl-1H-pyrazol-5-amine
OpenEye OEToolkits2.0.72-methylpyrazol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1ccnn1C
InChIInChI1.03InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChIKeyInChI1.03JESRNIJXVIFVOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nccc1N
SMILESCACTVS3.385Cn1nccc1N
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c(ccn1)N
SMILESOpenEye OEToolkits2.0.7Cn1c(ccn1)N

222926

数据于2024-07-24公开中

PDB statisticsPDBj update infoContact PDBjnumon