4-(1H-1,2,4-triazol-5-yl)aniline hydrate

Systemtic Name: 4-(1H-1,2,4-triazol-5-yl)aniline hydrate Openeye Name: 4-(1H-1,2,4-triazol-5-yl)aniline hydrate CAS Name: 4-(1H-1,2,4-triazol-5-yl)aniline hydrate IUPAC Name: 4-(1H-1,2,4-triazol-5-yl)aniline hydrate Traditional Name: [4-(1H-1,2,4-triazol-5-yl)phenyl]amine hydrate Formula: C16H18N8O MolecularWeight: 338.36712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=NN2)N.C1=CC(=CC=C1C2=NC=NN2)N.O

Isomeric SMILES

C1=CC(=CC=C1C2=NC=NN2)N.C1=CC(=CC=C1C2=NC=NN2)N.O

InChI

InChI=1S/2C8H8N4.H2O/c2*9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h2*1-5H,9H2,(H,10,11,12);1H2