1-(1-adamantyl)-5-azanyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 1-(1-adamantyl)-5-azanyl-1,2,4-triazole-3-carboxylate Openeye Name: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylate CAS Name: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylate IUPAC Name: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylate Traditional Name: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylate Formula: C13H17N4O2- MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)C(=O)[O-])N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)C(=O)[O-])N

InChI

InChI=1S/C13H18N4O2/c14-12-15-10(11(18)19)16-17(12)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,18,19)(H2,14,15,16)/p-1