Molecule ID: 135886615

IUPAC Name: 2-amino-6-(aminomethyl)-5-methylidene-3,6,7,8-tetrahydropteridin-5-ium-4-one

Description: The molecule is an iminium ion with formula C8H13N6O, that is an intermediate in the biosynthesis of methanopterin by Methanocaldococcus jannaschii. It has a role as a bacterial metabolite.

SMILES: C=[N+]1c2c(O)nc(=N)[nH]c2NCC1CN

SELFIES: [C][=N+1][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][NH1][C][=Ring1][Branch2][N][C][C][Ring1][N][C][N]

InChI: InChI=1S/C8H12N6O/c1-14-4(2-9)3-11-6-5(14)7(15)13-8(10)12-6/h4H,1-3,9H2,(H3-,10,11,12,13,15)/p+1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.2