Molecule ID: 8490

IUPAC Name: 1,3,5-trinitro-1,3,5-triazinane

Description: The molecule is an N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives. It has a role as an explosive. It is a member of 1,3,5-triazinanes and a N-nitro compound.

SMILES: O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1

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

InChI: InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 1.6