4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

C100H126F6N32+8 — CID 159200219

IUPAC4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
SMILESCCc1c(C)c2nc(C)c(C(F)(F)F)nc2n[n+]1C.CCc1c2nc(C)c(C)nc2c(C(F)(F)F)n[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc[n+]1C.CCc1c2nc3cc(C)c(C)cc3nc2nc[n+]1C.CCc1c2nc3ccccc3nc2c(C)n[n+]1C.[2H]C([2H])([2H])c1n[n+](C)c(CC)c2nc(C)c(C)nc12
InChIInChI=1S/C15H17N4.C14H15N4.2C12H14F3N4.3C12H17N4.C11H15N4/c1-5-13-14-15(16-8-19(13)4)18-12-7-10(3)9(2)6-11(12)17-14;1-4-12-14-13(9(2)17-18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-6(2)9-11(18-19(8)4)17-10(7(3)16-9)12(13,14)15;1-5-8-9-10(17-7(3)6(2)16-9)11(12(13,14)15)18-19(8)4;2*1-6-10-11-12(15-9(4)16(10)5)14-8(3)7(2)13-11;1-6-10-12-11(9(4)15-16(10)5)13-7(2)8(3)14-12;1-5-9-10-11(12-6-15(9)4)14-8(3)7(2)13-10/h6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3;6H,5H2,1-4H3/q8*+1/i;;;;;;4D3;
InChIKeyAUMKORSCINWMOG-ROQGKHNCSA-N
MW1893.34 g/mol
LogP13.19
Rot. Bonds9

About 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (PubChem CID 159200219) has the molecular formula C100H126F6N32+8 and a molecular weight of 1893.34 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
PubChem CID159200219
Molecular FormulaC100H126F6N32+8
Molecular Weight1893.34 g/mol
Exact Mass1892.09
IUPAC Name4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
SMILESCCc1c(C)c2nc(C)c(C(F)(F)F)nc2n[n+]1C.CCc1c2nc(C)c(C)nc2c(C(F)(F)F)n[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc[n+]1C.CCc1c2nc3cc(C)c(C)cc3nc2nc[n+]1C.CCc1c2nc3ccccc3nc2c(C)n[n+]1C.[2H]C([2H])([2H])c1n[n+](C)c(CC)c2nc(C)c(C)nc12
InChIInChI=1S/C15H17N4.C14H15N4.2C12H14F3N4.3C12H17N4.C11H15N4/c1-5-13-14-15(16-8-19(13)4)18-12-7-10(3)9(2)6-11(12)17-14;1-4-12-14-13(9(2)17-18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-6(2)9-11(18-19(8)4)17-10(7(3)16-9)12(13,14)15;1-5-8-9-10(17-7(3)6(2)16-9)11(12(13,14)15)18-19(8)4;2*1-6-10-11-12(15-9(4)16(10)5)14-8(3)7(2)13-11;1-6-10-12-11(9(4)15-16(10)5)13-7(2)8(3)14-12;1-5-9-10-11(12-6-15(9)4)14-8(3)7(2)13-10/h6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3;6H,5H2,1-4H3/q8*+1/i;;;;;;4D3;
InChIKeyAUMKORSCINWMOG-ROQGKHNCSA-N
XLogP13.19
TPSA340.40 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.34
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium with MolForge

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Related Compounds

N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine
CID 71456480
N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine
CID 71460177
CID 71454729
CID 71454729
7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
CID 91799520
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinoxalin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine
CID 146490624
1-(2,3-Dimethylphenyl)-4-{8-methyl-[1,2,4]triazolo[4,3-A]quinoxalin-4-YL}piperazine
CID 15989755
CID 71451155
CID 71451155
4-N-(8-methylcinnolin-4-yl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 163404065
4-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,5-naphthyridine
CID 142464214
3-[6-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 57446871
3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 57446874
3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 57446876

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The IUPAC name of 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (CID 159200219) is 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.
What is the SMILES notation for 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The canonical SMILES for 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is CCc1c(C)c2nc(C)c(C(F)(F)F)nc2n[n+]1C.CCc1c2nc(C)c(C)nc2c(C(F)(F)F)n[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc(C)[n+]1C.CCc1c2nc(C)c(C)nc2nc[n+]1C.CCc1c2nc3cc(C)c(C)cc3nc2nc[n+]1C.CCc1c2nc3ccccc3nc2c(C)n[n+]1C.[2H]C([2H])([2H])c1n[n+](C)c(CC)c2nc(C)c(C)nc12.
What is the InChIKey of 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
The InChIKey is AUMKORSCINWMOG-ROQGKHNCSA-N. The full InChI is InChI=1S/C15H17N4.C14H15N4.2C12H14F3N4.3C12H17N4.C11H15N4/c1-5-13-14-15(16-8-19(13)4)18-12-7-10(3)9(2)6-11(12)17-14;1-4-12-14-13(9(2)17-18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-6(2)9-11(18-19(8)4)17-10(7(3)16-9)12(13,14)15;1-5-8-9-10(17-7(3)6(2)16-9)11(12(13,14)15)18-19(8)4;2*1-6-10-11-12(15-9(4)16(10)5)14-8(3)7(2)13-11;1-6-10-12-11(9(4)15-16(10)5)13-7(2)8(3)14-12;1-5-9-10-11(12-6-15(9)4)14-8(3)7(2)13-10/h6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3;6H,5H2,1-4H3/q8*+1/i;;;;;;4D3;.
What are the key properties of 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?
4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium has a molecular weight of 1893.34 g/mol, XLogP of 13.19, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylpyridazino[4,5-b]quinoxalin-3-ium;bis(4-ethyl-2,3,6,7-tetramethylpteridin-3-ium);4-ethyl-3,7,8-trimethylbenzo[g]pteridin-3-ium;4-ethyl-3,6,7-trimethylpteridin-3-ium;5-ethyl-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;3-ethyl-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium;5-ethyl-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is sourced from PubChem (CID 159200219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).