3-azanyl-1H-1,2,4-triazole-5-carboxylic acid hydrate

Systemtic Name: 3-azanyl-1H-1,2,4-triazole-5-carboxylic acid hydrate Openeye Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate Formula: C6H10N8O5 MolecularWeight: 274.1942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=NN1)N)C(=O)O.C1(=NC(=NN1)N)C(=O)O.O

Isomeric SMILES

C1(=NC(=NN1)N)C(=O)O.C1(=NC(=NN1)N)C(=O)O.O

InChI

InChI=1S/2C3H4N4O2.H2O/c2*4-3-5-1(2(8)9)6-7-3;/h2*(H,8,9)(H3,4,5,6,7);1H2