3-[4-[2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-[2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[2-(4-pyridylmethylamino)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[2-(pyridin-4-ylmethylamino)ethyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: 2-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazino]ethyl-(4-pyridylmethyl)amine Formula: C14H22N8 MolecularWeight: 302.37808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNCC2=CC=NC=C2)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1CCNCC2=CC=NC=C2)C3=NNC(=N3)N

InChI

InChI=1S/C14H22N8/c15-13-18-14(20-19-13)22-9-7-21(8-10-22)6-5-17-11-12-1-3-16-4-2-12/h1-4,17H,5-11H2,(H3,15,18,19,20)