4-(3-phenyl-1,2,4-triazol-1-yl)butan-1-amine hydrochloride

Systemtic Name: 4-(3-phenyl-1,2,4-triazol-1-yl)butan-1-amine hydrochloride Openeye Name: 4-(3-phenyl-1,2,4-triazol-1-yl)butan-1-amine hydrochloride CAS Name: 4-(3-phenyl-1,2,4-triazol-1-yl)-1-butanamine hydrochloride IUPAC Name: 4-(3-phenyl-1,2,4-triazol-1-yl)butan-1-amine hydrochloride Traditional Name: 4-(3-phenyl-1,2,4-triazol-1-yl)butylamine hydrochloride Formula: C12H17ClN4 MolecularWeight: 252.74318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=N2)CCCCN.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=N2)CCCCN.Cl

InChI

InChI=1S/C12H16N4.ClH/c13-8-4-5-9-16-10-14-12(15-16)11-6-2-1-3-7-11;/h1-3,6-7,10H,4-5,8-9,13H2;1H