3,5-bis(chloromethyl)-1,2,4-triazol-4-amine hydrate hydrochloride

Systemtic Name: 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine hydrate hydrochloride Openeye Name: 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine hydrate hydrochloride CAS Name: 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine hydrate hydrochloride IUPAC Name: 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine hydrate hydrochloride Traditional Name: [3,5-bis(chloromethyl)-1,2,4-triazol-4-yl]amine hydrate hydrochloride Formula: C4H9Cl3N4O MolecularWeight: 235.49946

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=NN=C(N1N)CCl)Cl.O.Cl

Isomeric SMILES

C(C1=NN=C(N1N)CCl)Cl.O.Cl

InChI

InChI=1S/C4H6Cl2N4.ClH.H2O/c5-1-3-8-9-4(2-6)10(3)7;;/h1-2,7H2;1H;1H2