Molecule ID: 6400641

IUPAC Name: 1H-imidazo[4,5-d]pyridazin-2-amine

Description: The molecule is a organonitrogen heterocyclic compound that is 1H-imidazo[4,5-d]pyridazine substituted by an amino group at position 2. A guanidine alkaloid isolated from Anchinoe paupertas, it exhibits cytotoxic activity against human and murine tumor cell lines. It has a role as a metabolite and an antineoplastic agent. It is a member of guanidines, an alkaloid and an organonitrogen heterocyclic compound.

SMILES: N=c1[nH]c2cnncc2[nH]1

SELFIES: [N][=C][NH1][C][=C][N][=N][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]

InChI: InChI=1S/C5H5N5/c6-5-9-3-1-7-8-2-4(3)10-5/h1-2H,(H3,6,9,10)

Molecular Properties:
- Polar Surface Area: 80.5 Ų
- LogP: -0.9