Molecule ID: 26098

IUPAC Name: 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

Description: The molecule is a member of the class of benzotriazines that is 1,2-dihydro-1,2,4-benzotriazine bearing a dimethylamino substitutent at position 3 and a methyl substituent at position 7 and in which the nitrogens at positions 1 and 2 are both acylated by a carboxy group of propylmalonic acid. It has a role as a uricosuric drug and a non-steroidal anti-inflammatory drug. It derives from a hydride of a 1,2,4-benzotriazine.

SMILES: CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O

SELFIES: [C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C][Ring2][Ring1][C][=O]

InChI: InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3

Molecular Properties:
- Polar Surface Area: 56.2 Ų
- LogP: 4.0