BDI

2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE

Created: 2002-11-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count10
2D diagram of BDI
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Chemical Component Summary

Name2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE
Systematic Name (OpenEye OEToolkits)2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
FormulaC9 H12 N4 O2
Molecular Weight208.217
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c1nc(nc1C(=O)NN2)CCCC
SMILESCACTVS3.341CCCCc1[nH]c2C(=O)NNC(=O)c2n1
SMILESOpenEye OEToolkits1.5.0CCCCc1[nH]c2c(n1)C(=O)NNC2=O
Canonical SMILESCACTVS3.341 CCCCc1[nH]c2C(=O)NNC(=O)c2n1
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCc1[nH]c2c(n1)C(=O)NNC2=O
InChIInChI1.03 InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyInChI1.03 DQHJYYALMHIEAH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02441 
Name2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione
Groups experimental
Synonyms2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione

Drug Targets

NameTarget SequencePharmacological ActionActions
Queuine tRNA-ribosyltransferaseMVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAAT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 3465283, 5287752
ChEMBL CHEMBL280051