1-[4-(3-azanyl-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methyl-guanidine hydrate

Systemtic Name: 1-[4-(3-azanyl-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methyl-guanidine hydrate Openeye Name: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methyl-guanidine hydrate CAS Name: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methylguanidine hydrate IUPAC Name: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methylguanidine hydrate Traditional Name: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methyl-guanidine hydrate Formula: C9H18N8O MolecularWeight: 254.29222

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCCCC1=NC(=NN1)N)NC#N.O

Isomeric SMILES

CN=C(NCCCCC1=NC(=NN1)N)NC#N.O

InChI

InChI=1S/C9H16N8.H2O/c1-12-9(14-6-10)13-5-3-2-4-7-15-8(11)17-16-7;/h2-5H2,1H3,(H2,12,13,14)(H3,11,15,16,17);1H2