2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium

C195H213F6N27O+12 — CID 159531855

IUPAC2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium
SMILESCOc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc2ccccc2cc1-c1c(C)ncc[n+]1C.Cc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc[n+]1C.Cc1ccccc1-c1c(C)ncc[n+]1C.Cc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.Cc1ncc[n+](C)c1-c1cc2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C25H24N3.C19H24N3.2C19H19N2.C17H17N2.C15H20N3.C14H14F3N2.C14H17N2O.C14H17N2.C13H13F2N2.C13H14FN2.C13H15N2/c1-19-18-23(14-15-24(19)25-20(2)26-16-17-27(25)3)28(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-13-16-7-5-10-22-9-4-6-15(19(16)22)12-17(13)18-14(2)20-8-11-21(18)3;1-14-13-17(16-7-5-4-6-8-16)9-10-18(14)19-15(2)20-11-12-21(19)3;1-14-9-10-17(16-7-5-4-6-8-16)13-18(14)19-15(2)20-11-12-21(19)3;1-12-10-14-6-4-5-7-15(14)11-16(12)17-13(2)18-8-9-19(17)3;1-11-10-13(17(3)4)6-7-14(11)15-12(2)16-8-9-18(15)5;1-9-8-11(14(15,16)17)4-5-12(9)13-10(2)18-6-7-19(13)3;1-10-9-12(17-4)5-6-13(10)14-11(2)15-7-8-16(14)3;1-10-5-6-13(11(2)9-10)14-12(3)15-7-8-16(14)4;1-8-11(6-10(14)7-12(8)15)13-9(2)16-4-5-17(13)3;1-9-8-11(14)4-5-12(9)13-10(2)15-6-7-16(13)3;1-10-6-4-5-7-12(10)13-11(2)14-8-9-15(13)3/h4-18H,1-3H3;8,11-12H,4-7,9-10H2,1-3H3;2*4-13H,1-3H3;4-11H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q12*+1
InChIKeyZOKWGZIXRJYAPJ-UHFFFAOYSA-N
MW3065.02 g/mol
LogP36.75
Rot. Bonds19

About 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium

2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium (PubChem CID 159531855) has the molecular formula C195H213F6N27O+12 and a molecular weight of 3065.02 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium
PubChem CID159531855
Molecular FormulaC195H213F6N27O+12
Molecular Weight3065.02 g/mol
Exact Mass3062.73
IUPAC Name2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium
SMILESCOc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc2ccccc2cc1-c1c(C)ncc[n+]1C.Cc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc[n+]1C.Cc1ccccc1-c1c(C)ncc[n+]1C.Cc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.Cc1ncc[n+](C)c1-c1cc2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C25H24N3.C19H24N3.2C19H19N2.C17H17N2.C15H20N3.C14H14F3N2.C14H17N2O.C14H17N2.C13H13F2N2.C13H14FN2.C13H15N2/c1-19-18-23(14-15-24(19)25-20(2)26-16-17-27(25)3)28(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-13-16-7-5-10-22-9-4-6-15(19(16)22)12-17(13)18-14(2)20-8-11-21(18)3;1-14-13-17(16-7-5-4-6-8-16)9-10-18(14)19-15(2)20-11-12-21(19)3;1-14-9-10-17(16-7-5-4-6-8-16)13-18(14)19-15(2)20-11-12-21(19)3;1-12-10-14-6-4-5-7-15(14)11-16(12)17-13(2)18-8-9-19(17)3;1-11-10-13(17(3)4)6-7-14(11)15-12(2)16-8-9-18(15)5;1-9-8-11(14(15,16)17)4-5-12(9)13-10(2)18-6-7-19(13)3;1-10-9-12(17-4)5-6-13(10)14-11(2)15-7-8-16(14)3;1-10-5-6-13(11(2)9-10)14-12(3)15-7-8-16(14)4;1-8-11(6-10(14)7-12(8)15)13-9(2)16-4-5-17(13)3;1-9-8-11(14)4-5-12(9)13-10(2)15-6-7-16(13)3;1-10-6-4-5-7-12(10)13-11(2)14-8-9-15(13)3/h4-18H,1-3H3;8,11-12H,4-7,9-10H2,1-3H3;2*4-13H,1-3H3;4-11H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q12*+1
InChIKeyZOKWGZIXRJYAPJ-UHFFFAOYSA-N
XLogP36.75
TPSA220.19 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003065.02
LogP ≤ 536.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium with MolForge

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Related Compounds

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3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
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1-(4-Methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f][1,7]naphthyridine
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3-(4-Methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
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CID 88862371
9,9-Diethyl-14-fluoro-9'-methoxy-19,19-dimethylspiro[8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),11(16),12,14-octaene-10,6'-pyrido[2,1-a]isoindol-5-ium]
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium?
The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium (CID 159531855) is 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium is COc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc[n+]1C.Cc1cc2ccccc2cc1-c1c(C)ncc[n+]1C.Cc1ccc(-c2c(C)ncc[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc[n+]1C.Cc1ccccc1-c1c(C)ncc[n+]1C.Cc1ncc[n+](C)c1-c1cc(F)cc(F)c1C.Cc1ncc[n+](C)c1-c1cc2c3c(c1C)CCCN3CCC2.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium?
The InChIKey is ZOKWGZIXRJYAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N3.C19H24N3.2C19H19N2.C17H17N2.C15H20N3.C14H14F3N2.C14H17N2O.C14H17N2.C13H13F2N2.C13H14FN2.C13H15N2/c1-19-18-23(14-15-24(19)25-20(2)26-16-17-27(25)3)28(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-13-16-7-5-10-22-9-4-6-15(19(16)22)12-17(13)18-14(2)20-8-11-21(18)3;1-14-13-17(16-7-5-4-6-8-16)9-10-18(14)19-15(2)20-11-12-21(19)3;1-14-9-10-17(16-7-5-4-6-8-16)13-18(14)19-15(2)20-11-12-21(19)3;1-12-10-14-6-4-5-7-15(14)11-16(12)17-13(2)18-8-9-19(17)3;1-11-10-13(17(3)4)6-7-14(11)15-12(2)16-8-9-18(15)5;1-9-8-11(14(15,16)17)4-5-12(9)13-10(2)18-6-7-19(13)3;1-10-9-12(17-4)5-6-13(10)14-11(2)15-7-8-16(14)3;1-10-5-6-13(11(2)9-10)14-12(3)15-7-8-16(14)4;1-8-11(6-10(14)7-12(8)15)13-9(2)16-4-5-17(13)3;1-9-8-11(14)4-5-12(9)13-10(2)15-6-7-16(13)3;1-10-6-4-5-7-12(10)13-11(2)14-8-9-15(13)3/h4-18H,1-3H3;8,11-12H,4-7,9-10H2,1-3H3;2*4-13H,1-3H3;4-11H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q12*+1.
What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium?
2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium has a molecular weight of 3065.02 g/mol, XLogP of 36.75, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;1,3-dimethyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3-dimethylpyrazin-1-ium;7-(1,3-dimethylpyrazin-1-ium-2-yl)-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-(1,3-dimethylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(1,3-dimethylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;2-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazin-1-ium is sourced from PubChem (CID 159531855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).