3-azanyl-6-azido-2-(phenylmethyl)-1,2,4-triazin-5-one

Systemtic Name: 3-azanyl-6-azido-2-(phenylmethyl)-1,2,4-triazin-5-one Openeye Name: 3-amino-6-azido-2-benzyl-1,2,4-triazin-5-one CAS Name: 3-amino-6-azido-2-(phenylmethyl)-1,2,4-triazin-5-one IUPAC Name: 3-amino-6-azido-2-benzyl-1,2,4-triazin-5-one Traditional Name: 3-amino-6-azido-2-benzyl-1,2,4-triazin-5-one Formula: C10H9N7O MolecularWeight: 243.22476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=O)C(=N2)N=[N+]=[N-])N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=O)C(=N2)N=[N+]=[N-])N

InChI

InChI=1S/C10H9N7O/c11-10-13-9(18)8(14-16-12)15-17(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,18)