(1S,3S)-3-(3-azanyl-1H-1,2,4-triazol-5-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: (1S,3S)-3-(3-azanyl-1H-1,2,4-triazol-5-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: (1S,3S)-3-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1S,3S)-3-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: (1S,3S)-3-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1S,3S)-3-(3-amino-1H-1,2,4-triazol-5-yl)-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C11H17N4O2- MolecularWeight: 237.27828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C2=NC(=NN2)N)C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C2=NC(=NN2)N)C(=O)[O-]

InChI

InChI=1S/C11H18N4O2/c1-10(2)6(7-13-9(12)15-14-7)4-5-11(10,3)8(16)17/h6H,4-5H2,1-3H3,(H,16,17)(H3,12,13,14,15)/p-1/t6-,11-/m1/s1