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

X03

Summary
Name:(5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
Formula:C13 H22 N4 O
Formal charge:0
Formula weight:250.34 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
OpenEye OEToolkits1.7.0(5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1nnc2c1CC(CC2)C(C)(C)CC)NN
SMILES_CANONICALCACTVS3.370CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
SMILESCACTVS3.370CCC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1
SMILES_CANONICALOpenEye OEToolkits1.7.0CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1
SMILESOpenEye OEToolkits1.7.0CCC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1
InChIInChI1.03InChI=1S/C13H22N4O/c1-4-13(2,3)8-5-6-10-9(7-8)11(17-16-10)12(18)15-14/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)/t8-/m1/s1
InChIKeyInChI1.03YAHBQFQHOVVECT-MRVPVSSYSA-N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon