2-(1-adamantyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(1-adamantyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(1-adamantyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(1-adamantyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(1-adamantyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(1-adamantyl)-1H-1,2,4-triazol-3-one Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)N=CN4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)N=CN4

InChI

InChI=1S/C12H17N3O/c16-11-13-7-14-15(11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H,13,14,16)