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

UTO

Summary
Name:6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide
Formula:C13 H12 N8 O
Formal charge:0
Formula weight:296.287 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]pyridine-3-carbohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H12N8O/c14-17-13(22)9-4-5-10(16-7-9)8-21-19-12(18-20-21)11-3-1-2-6-15-11/h1-7H,8,14H2,(H,17,22)
InChIKeyInChI1.06IWWAKCDINOGSFB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NNC(=O)c1ccc(Cn2nnc(n2)c3ccccn3)nc1
SMILESCACTVS3.385NNC(=O)c1ccc(Cn2nnc(n2)c3ccccn3)nc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)c2nnn(n2)Cc3ccc(cn3)C(=O)NN
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)c2nnn(n2)Cc3ccc(cn3)C(=O)NN

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon