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: C8H10N4O MolecularWeight: 178.1912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4.H2O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h1-5H,9H2,(H,10,11,12);1H2