N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[3-(aminomethyl)phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H15N5O MolecularWeight: 245.2804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=NC=N2)CN

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=NC=N2)CN

InChI

InChI=1S/C12H15N5O/c13-7-10-2-1-3-11(6-10)16-12(18)4-5-17-9-14-8-15-17/h1-3,6,8-9H,4-5,7,13H2,(H,16,18)