2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-1H-1,2,4-triazol-3-one dihydrochloride

Systemtic Name: 2-[1-(3-azanylpropyl)-5-fluoranyl-indol-3-yl]-1H-1,2,4-triazol-3-one dihydrochloride Openeye Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-1H-1,2,4-triazol-3-one dihydrochloride CAS Name: 2-[1-(3-aminopropyl)-5-fluoro-3-indolyl]-1H-1,2,4-triazol-3-one dihydrochloride IUPAC Name: 2-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-1H-1,2,4-triazol-3-one dihydrochloride Traditional Name: 2-[1-(3-aminopropyl)-5-fluoro-indol-3-yl]-1H-1,2,4-triazol-3-one dihydrochloride Formula: C13H16Cl2FN5O MolecularWeight: 348.203443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CN2CCCN)N3C(=O)N=CN3.Cl.Cl

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CN2CCCN)N3C(=O)N=CN3.Cl.Cl

InChI

InChI=1S/C13H14FN5O.2ClH/c14-9-2-3-11-10(6-9)12(7-18(11)5-1-4-15)19-13(20)16-8-17-19;;/h2-3,6-8H,1,4-5,15H2,(H,16,17,20);2*1H