Molecule ID: 135403646

IUPAC Name: 5-amino-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

Description: The molecule is a triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. It has a role as an antimetabolite, an antineoplastic agent and an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor. It is a member of triazolopyrimidines and a nucleobase analogue.

SMILES: N=c1nc(O)c2nn[nH]c2[nH]1

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

InChI: InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.5