methyl 3-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[oxo-[1-(2-pyrazinyl)-3-piperidinyl]methyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(1-pyrazin-2-ylnipecotoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C2CCCN(C2)C3=NC=CN=C3

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C2CCCN(C2)C3=NC=CN=C3

InChI

InChI=1S/C14H17N7O3/c1-24-13(23)11-17-14(20-19-11)18-12(22)9-3-2-6-21(8-9)10-7-15-4-5-16-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,17,18,19,20,22)