2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium

C74H94F6N24+6 — CID 159517862

IUPAC2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium
SMILESCCc1c(C)nc2nc(C(F)(F)F)c(C)nc2[n+]1C.CCc1c(C)nc2nc(C)c(C)nc2[n+]1C.CCc1nc2nc(C)c(C(F)(F)F)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc3ccccc3nc2c(C)[n+]1C
InChIInChI=1S/C14H15N4.2C12H14F3N4.3C12H17N4/c1-4-12-17-14-13(9(2)18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-17-11-9(7(3)19(8)4)18-10(6(2)16-11)12(13,14)15;1-5-8-6(2)16-10-11(19(8)4)17-7(3)9(18-10)12(13,14)15;2*1-6-10-15-12-11(9(4)16(10)5)13-7(2)8(3)14-12;1-6-10-9(4)14-11-12(16(10)5)15-8(3)7(2)13-11/h5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3/q6*+1
InChIKeySHBALWURSYXCQG-UHFFFAOYSA-N
MW1433.72 g/mol
LogP9.98
Rot. Bonds6

About 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium

2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium (PubChem CID 159517862) has the molecular formula C74H94F6N24+6 and a molecular weight of 1433.72 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium.

Molecular Properties

Compound Name2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium
PubChem CID159517862
Molecular FormulaC74H94F6N24+6
Molecular Weight1433.72 g/mol
Exact Mass1432.80
IUPAC Name2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium
SMILESCCc1c(C)nc2nc(C(F)(F)F)c(C)nc2[n+]1C.CCc1c(C)nc2nc(C)c(C)nc2[n+]1C.CCc1nc2nc(C)c(C(F)(F)F)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc3ccccc3nc2c(C)[n+]1C
InChIInChI=1S/C14H15N4.2C12H14F3N4.3C12H17N4/c1-4-12-17-14-13(9(2)18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-17-11-9(7(3)19(8)4)18-10(6(2)16-11)12(13,14)15;1-5-8-6(2)16-10-11(19(8)4)17-7(3)9(18-10)12(13,14)15;2*1-6-10-15-12-11(9(4)16(10)5)13-7(2)8(3)14-12;1-6-10-9(4)14-11-12(16(10)5)15-8(3)7(2)13-11/h5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3/q6*+1
InChIKeySHBALWURSYXCQG-UHFFFAOYSA-N
XLogP9.98
TPSA255.30 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.72
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium?
The IUPAC name of 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium (CID 159517862) is 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium.
What is the SMILES notation for 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium?
The canonical SMILES for 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium is CCc1c(C)nc2nc(C(F)(F)F)c(C)nc2[n+]1C.CCc1c(C)nc2nc(C)c(C)nc2[n+]1C.CCc1nc2nc(C)c(C(F)(F)F)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc(C)c(C)nc2c(C)[n+]1C.CCc1nc2nc3ccccc3nc2c(C)[n+]1C.
What is the InChIKey of 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium?
The InChIKey is SHBALWURSYXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4.2C12H14F3N4.3C12H17N4/c1-4-12-17-14-13(9(2)18(12)3)15-10-7-5-6-8-11(10)16-14;1-5-8-17-11-9(7(3)19(8)4)18-10(6(2)16-11)12(13,14)15;1-5-8-6(2)16-10-11(19(8)4)17-7(3)9(18-10)12(13,14)15;2*1-6-10-15-12-11(9(4)16(10)5)13-7(2)8(3)14-12;1-6-10-9(4)14-11-12(16(10)5)15-8(3)7(2)13-11/h5-8H,4H2,1-3H3;2*5H2,1-4H3;3*6H2,1-5H3/q6*+1.
What are the key properties of 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium?
2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium has a molecular weight of 1433.72 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethylbenzo[g]pteridin-3-ium;bis(2-ethyl-3,4,6,7-tetramethylpteridin-3-ium);3-ethyl-2,4,6,7-tetramethylpyrazino[2,3-b]pyrazin-4-ium;2-ethyl-3,4,7-trimethyl-6-(trifluoromethyl)pteridin-3-ium;6-ethyl-3,5,7-trimethyl-2-(trifluoromethyl)pyrazino[2,3-b]pyrazin-5-ium is sourced from PubChem (CID 159517862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).