N-[1,3-bis(1,2,4-triazol-1-yl)butyl]-5-chloranyl-pyridin-2-amine

Systemtic Name: N-[1,3-bis(1,2,4-triazol-1-yl)butyl]-5-chloranyl-pyridin-2-amine Openeye Name: N-[1,3-bis(1,2,4-triazol-1-yl)butyl]-5-chloro-pyridin-2-amine CAS Name: N-[1,3-bis(1,2,4-triazol-1-yl)butyl]-5-chloro-2-pyridinamine IUPAC Name: N-[1,3-bis(1,2,4-triazol-1-yl)butyl]-5-chloropyridin-2-amine Traditional Name: 1,3-bis(1,2,4-triazol-1-yl)butyl-(5-chloro-2-pyridyl)amine Formula: C13H15ClN8 MolecularWeight: 318.7648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(NC1=NC=C(C=C1)Cl)N2C=NC=N2)N3C=NC=N3

Isomeric SMILES

CC(CC(NC1=NC=C(C=C1)Cl)N2C=NC=N2)N3C=NC=N3

InChI

InChI=1S/C13H15ClN8/c1-10(21-8-15-6-18-21)4-13(22-9-16-7-19-22)20-12-3-2-11(14)5-17-12/h2-3,5-10,13H,4H2,1H3,(H,17,20)