N-[1-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine

Systemtic Name: N-[1-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine Openeye Name: N-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine CAS Name: N-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-propanamine IUPAC Name: N-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethyl]propan-1-amine Traditional Name: 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]ethyl-propyl-amine Formula: C13H17FN4 MolecularWeight: 248.299283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)C1=CC(=C(C=C1)N2C=NC=N2)F

Isomeric SMILES

CCCNC(C)C1=CC(=C(C=C1)N2C=NC=N2)F

InChI

InChI=1S/C13H17FN4/c1-3-6-16-10(2)11-4-5-13(12(14)7-11)18-9-15-8-17-18/h4-5,7-10,16H,3,6H2,1-2H3