Compound: TRIAZIQUONE
SMILES: O=C1C(N2CC2)=C(N3CC3)C(=O)C=C1N4CC4
InChIKey: PXSOHRWMIRDKMP-UHFFFAOYSA-N
Synonyms: TRIAZIQUONE, Trenimon, Triaziquon, 68-76-8, Trisethyleneiminoquinone, Triaziquinone, Oncoredox, Prenimon, Treninon, Riker 601, Oncovedex, Triazichon, Bayer 3231, TEIB, Triaziquinonum, Triethyleneaminobenzoquinone, Triethyleneiminobenzoquinone, Triazicuona, Triaziquonum, Triethyleniminobenzoquinone, Tris(1-aziridinyl)-p-benzoquinone, NSC-29215, Trenimone, Tris(ethyleneimino)benzoquinone, Trisaethyleniminobenzochinon, Tris(aziridinyl)-p-benzoquinone, BAY 3231, Tris(aziridinyl)-para-benzoquinone, p-Benzoquinone, tris(1-aziridinyl)-, 2,3,5-Tris(ethylenimino)benzoquinone, 2,3,5-Ethylenimine-1,4-benzoquinone, 2,3,5-Tris(1-aziridino)-p-benzoquinone, 2,3,5-Tris(ethylenimino)-p-benzoquinone, 2,3,5-Triethyleneimino-1,4-benzoquinone, 2,3,5-Tris(aziridino)-1,4-benzoquinone, 2,3,5-Tris(1-aziridinyl)-p-benzoquinone, 2,3,5-Trisethyleneiminobenzoquinone, RIKER-601, 2,3,5-Tris(ethylenimino)-1,4-benzoquinone, BAYER-3231, 2,3,5-Triethyleneimino-p-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-, 2,3,5-Tri-(1-aziridinyl)-p-benzoquinone, 10257 R.P., 2,3,5-Tris(ethyleneimino)-1,4-benzoquinone, 2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione, F3D5D9P25I, 2,3,5-Tris-ethyleniminoquinone-(1,4), DTXSID1021370, 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine, p-Benzoquinone, 2,3,5-tris(1-aziridinyl)-, NSC29215, Aziridine, 1,1',1''-(3,6-dioxo-1,4-cyclohexadiene-1,2,4-triyl)tris-, CHEBI:27090, 2,3,5-tri(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,3,5-Tris(ethyleneimine)benzoquinone, RefChem:190871, DTXCID801370, L01AC02, 200-692-6, A 163, 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione, BAY-3231, Triaziquone (INN), Triazoquinone, 2,3,5-Tri(1-aziridinyl)-p-benzoquinone, TRIAZIQUONE [INN], 2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone, Oncovedex; Prenimon; Riker 601; TEIB; Trenimon, Triazichon [German], Triaziquone [INN:BAN], Triaziquonum [INN-Latin], Triazicuona [INN-Spanish], CCRIS 1288, HSDB 7306, EINECS 200-692-6, Trisaethyleniminobenzochinon [German], NSC 29215, BRN 0238057, UNII-F3D5D9P25I, 2,3,5-Tris(aziridinyl)-1,4-benzoquinone, AI3-51086, TRIAZIQUONE [MI], TRIAZIQUONE [HSDB], SCHEMBL8303, 2,3, 5-Tris(ethyleneimi, TRIAZIQUONE [WHO-DD], 4-20-00-00031 (Beilstein Handbook Reference), CHEMBL313302, orb1695010, 2,5-Tris(ethylenimino)benzoquinone, 2,5-Ethylenimine-1,4-benzoquinone, 2,5-Triethyleneimino-p-benzoquinone, 2,5-Tris(ethyleneimino)benzoquinone, AKOS040754247, 2,3,5-Tris(ethyleneimino)benzoquinone, 2,5-Tri(1-aziridinyl)-p-benzoquinone, 2,5-Triethyleneimino-1,4-benzoquinone, 2,5-Tris(1-aziridino)-p-benzoquinone, 2,5-Tris(ethylenimino)-p-benzoquinone, DB13304, 2,3, 5-Triethyleneimino-p-benzoquinone, 2,5-Tris(aziridino)-1,4-benzoquinone, 2,5-Tris(aziridinyl)-1,4-benzoquinone, DA-60032, p-Benzoquinone,3,5-tris(1-aziridinyl)-, 2,5-Tris(ethylenimino)-1,4-benzoquinone, 2,3, 5-Tris(1-aziridino)-p-benzoquinone, 2,4-dione, 2,3,5-tris(1-aziridinyl)-, HY-105740, 2,3, 5-Tris(aziridinyl)-1,4-benzoquinone, 2,3,5-Tri(1-aziridinyl)benzo-1,4-quinone, CS-0026561, NS00036689, C19542, D07254, 2,3,5-Tri(1-aziridinyl)benzo-1,4-quinone #, TRIS(AZIRIDINYL)-PARA-BENZOQUINONE [IARC], Q1323947, 2,5-Cyclohexadiene-1,4-dione,2,3,5-tri-1-aziridinyl-, 2,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione, WLN: L6V DVJ B- AT3NTJ& C- AT3NTJ& E- AT3NTJ, 1,1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine, 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2, 4-triyl)trisaziridine, 2,5-Bis(aziridin-1-yl)-3-(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione, Aziridine,1',1''-(3,6-dioxo-1,4-cyclohexadiene-1,2,4-triyl)tris-
Theoretical properties:
molecular_formula: C12H13N3O2
molecular_weight: 231.25 g/mol
exact_mass: 231.100776666 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 17
topological_polar_surface_area: 43.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Purple needles crystals from ethyl acetate
color: Purple needles crystals from ethyl acetate
melting_point: 324 to 325 °F (NTP, 1992)
solubility: Sparingly soluble (NTP, 1992)
vapor_pressure: 3.4X10-6 mm Hg at 25 °C /Estimated/
Descriptions:
pubchem: Triaziquone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups. It has a role as an alkylating agent and an antineoplastic agent. It is a member of 1,4-benzoquinones and a member of aziridines.
chebi: A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.
chembl: TRIAZIQUONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Triaziquone is a drug used in chemotherapy.
It is aziridinylbenzoquinone-based, and may have potential antineoplastic activity. 
It is an alkylating agent. It can react with DNA to form intrastrand crosslinks. It is a member of aziridines as well.