3-[(2-phenyl-1,2,3-triazol-4-yl)methylamino]propanenitrile

Systemtic Name: 3-[(2-phenyl-1,2,3-triazol-4-yl)methylamino]propanenitrile Openeye Name: 3-[(2-phenyltriazol-4-yl)methylamino]propanenitrile CAS Name: 3-[(2-phenyl-4-triazolyl)methylamino]propanenitrile IUPAC Name: 3-[(2-phenyltriazol-4-yl)methylamino]propanenitrile Traditional Name: 3-[(2-phenyltriazol-4-yl)methylamino]propionitrile Formula: C12H13N5 MolecularWeight: 227.26512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)CNCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)CNCCC#N

InChI

InChI=1S/C12H13N5/c13-7-4-8-14-9-11-10-15-17(16-11)12-5-2-1-3-6-12/h1-3,5-6,10,14H,4,8-9H2