5NI

5-NITROINDAZOLE

Created: 2002-07-26
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count10
2D diagram of 5NI

Chemical Component Summary

Name5-NITROINDAZOLE
Systematic Name (OpenEye OEToolkits)5-nitro-1H-indazole
FormulaC7 H5 N3 O2
Molecular Weight163.133
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)c1cc2c(cc1)nnc2
SMILESCACTVS3.341[O-][N+](=O)c1ccc2[nH]ncc2c1
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1[N+](=O)[O-])cn[nH]2
Canonical SMILESCACTVS3.341 [O-][N+](=O)c1ccc2[nH]ncc2c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(cc1[N+](=O)[O-])cn[nH]2
InChIInChI1.03 InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChIKeyInChI1.03 WSGURAYTCUVDQL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04534 
Name5-Nitroindazole
Groups experimental
Synonyms
  • 5-Nitro-1H-indazole
  • 5-Nitroindazole
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Pyrazoles
CAS number5401-94-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitric oxide synthase, inducibleMACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...unknown
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...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 21501
ChEMBL CHEMBL165372