2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline

C169H192F6N22O+10 — CID 158652582

IUPAC2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline
SMILESCOc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc(C)[n+]1C.Cc1ccccc1-c1c(C)ncc(C)[n+]1C.Cc1ncc(C)[n+](C)c1-c1cc(F)cc(F)c1C
InChIInChI=1S/C26H26N3.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-19-17-24(15-16-25(19)26-21(3)27-18-20(2)28(26)4)29(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-14-12-18(17-8-6-5-7-9-17)10-11-19(14)20-16(3)21-13-15(2)22(20)4;1-14-10-11-18(17-8-6-5-7-9-17)12-19(14)20-16(3)21-13-15(2)22(20)4;1-11-9-14(18(4)5)7-8-15(11)16-13(3)17-10-12(2)19(16)6;1-9-7-12(15(16,17)18)5-6-13(9)14-11(3)19-8-10(2)20(14)4;1-10-8-13(18-5)6-7-14(10)15-12(3)16-9-11(2)17(15)4;1-10-6-7-14(11(2)8-10)15-13(4)16-9-12(3)17(15)5;1-8-7-17-10(3)14(18(8)4)12-5-11(15)6-13(16)9(12)2;1-9-7-12(15)5-6-13(9)14-11(3)16-8-10(2)17(14)4;1-10-7-5-6-8-13(10)14-12(3)15-9-11(2)16(14)4/h5-18H,1-4H3;2*5-13H,1-4H3;7-10H,1-6H3;5-8H,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;5-9H,1-4H3/q10*+1
InChIKeyYTXOXQLZTIHFBX-UHFFFAOYSA-N
MW2661.54 g/mol
LogP33.61
Rot. Bonds17

About 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline

2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline (PubChem CID 158652582) has the molecular formula C169H192F6N22O+10 and a molecular weight of 2661.54 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline
PubChem CID158652582
Molecular FormulaC169H192F6N22O+10
Molecular Weight2661.54 g/mol
Exact Mass2659.55
IUPAC Name2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline
SMILESCOc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc(C)[n+]1C.Cc1ccccc1-c1c(C)ncc(C)[n+]1C.Cc1ncc(C)[n+](C)c1-c1cc(F)cc(F)c1C
InChIInChI=1S/C26H26N3.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-19-17-24(15-16-25(19)26-21(3)27-18-20(2)28(26)4)29(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-14-12-18(17-8-6-5-7-9-17)10-11-19(14)20-16(3)21-13-15(2)22(20)4;1-14-10-11-18(17-8-6-5-7-9-17)12-19(14)20-16(3)21-13-15(2)22(20)4;1-11-9-14(18(4)5)7-8-15(11)16-13(3)17-10-12(2)19(16)6;1-9-7-12(15(16,17)18)5-6-13(9)14-11(3)19-8-10(2)20(14)4;1-10-8-13(18-5)6-7-14(10)15-12(3)16-9-11(2)17(15)4;1-10-6-7-14(11(2)8-10)15-13(4)16-9-12(3)17(15)5;1-8-7-17-10(3)14(18(8)4)12-5-11(15)6-13(16)9(12)2;1-9-7-12(15)5-6-13(9)14-11(3)16-8-10(2)17(14)4;1-10-7-5-6-8-13(10)14-12(3)15-9-11(2)16(14)4/h5-18H,1-4H3;2*5-13H,1-4H3;7-10H,1-6H3;5-8H,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;5-9H,1-4H3/q10*+1
InChIKeyYTXOXQLZTIHFBX-UHFFFAOYSA-N
XLogP33.61
TPSA183.41 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002661.54
LogP ≤ 533.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline with MolForge

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Related Compounds

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4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
9-[2-Fluoro-4-[10-(3-methoxyphenyl)anthracen-9-yl]phenyl]-5,7-diphenylpyrido[3,4-b]indole
CID 88356645
N-[4-[2,2-bis(2-methyl-4-pyridinyl)ethenyl]-3-methoxyphenyl]-4-[(1E)-4,4-dipyridin-4-ylbuta-1,3-dienyl]-6-(3-fluorophenyl)-N-(4-methylphenyl)naphthalen-1-amine
CID 88862371
3-Butyl-10,10-diethyl-14-fluoro-9-(10-methoxybenzo[a]quinolizin-5-ium-7-yl)-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123146680
4-Butyl-9,10-diethyl-14-fluoro-9-[3-[2-(5-methoxy-2-methylphenyl)pyridin-1-ium-1-yl]prop-1-enyl]-10,19,19-trimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123300764
3-Butyl-9,10-diethyl-14-fluoro-9-[3-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]propyl]-10,19,19-trimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123348383
4-Butyl-9,10-diethyl-14-fluoro-9-[3-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]propyl]-10,19,19-trimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123428233
3-Butyl-9,9-diethyl-14-fluoro-9'-methoxy-19,19-dimethylspiro[8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene-10,6'-pyrido[2,1-a]isoindol-5-ium]
CID 123437214
26-Butyl-6,6-diethyl-2-fluoro-16-methoxy-32,32-dimethyl-8,21-diazoniaoctacyclo[26.3.1.05,31.07,20.08,13.014,19.021,30.024,29]dotriaconta-1,3,5(31),7(20),8,10,12,14(19),15,17,21(30),22,24,26,28-pentadecaene
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N-[4-[2,2-bis(2-methyl-4-pyridinyl)ethenyl]-3-methoxyphenyl]-4-(4,4-dipyridin-4-ylbuta-1,3-dienyl)-6-(3-fluorophenyl)-N-(4-methylphenyl)naphthalen-1-amine
CID 123616632
4-Butyl-9,10-diethyl-14-fluoro-9-[2-[2-(5-methoxy-2-methylphenyl)pyridin-1-ium-1-yl]ethenyl]-10,19,19-trimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123724677

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline?
The IUPAC name of 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline (CID 158652582) is 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline is COc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1cc(-c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(C(F)(F)F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(F)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(C)C)ccc1-c1c(C)ncc(C)[n+]1C.Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1c(C)ncc(C)[n+]1C.Cc1ccc(-c2c(C)ncc(C)[n+]2C)c(C)c1.Cc1ccc(-c2ccccc2)cc1-c1c(C)ncc(C)[n+]1C.Cc1ccccc1-c1c(C)ncc(C)[n+]1C.Cc1ncc(C)[n+](C)c1-c1cc(F)cc(F)c1C.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline?
The InChIKey is YTXOXQLZTIHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N3.2C20H21N2.C16H22N3.C15H16F3N2.C15H19N2O.C15H19N2.C14H15F2N2.C14H16FN2.C14H17N2/c1-19-17-24(15-16-25(19)26-21(3)27-18-20(2)28(26)4)29(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-14-12-18(17-8-6-5-7-9-17)10-11-19(14)20-16(3)21-13-15(2)22(20)4;1-14-10-11-18(17-8-6-5-7-9-17)12-19(14)20-16(3)21-13-15(2)22(20)4;1-11-9-14(18(4)5)7-8-15(11)16-13(3)17-10-12(2)19(16)6;1-9-7-12(15(16,17)18)5-6-13(9)14-11(3)19-8-10(2)20(14)4;1-10-8-13(18-5)6-7-14(10)15-12(3)16-9-11(2)17(15)4;1-10-6-7-14(11(2)8-10)15-13(4)16-9-12(3)17(15)5;1-8-7-17-10(3)14(18(8)4)12-5-11(15)6-13(16)9(12)2;1-9-7-12(15)5-6-13(9)14-11(3)16-8-10(2)17(14)4;1-10-7-5-6-8-13(10)14-12(3)15-9-11(2)16(14)4/h5-18H,1-4H3;2*5-13H,1-4H3;7-10H,1-6H3;5-8H,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-7H,1-4H3;5-8H,1-4H3;5-9H,1-4H3/q10*+1.
What are the key properties of 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline?
2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline has a molecular weight of 2661.54 g/mol, XLogP of 33.61, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;2-(4-methoxy-2-methylphenyl)-1,3,6-trimethylpyrazin-1-ium;3-methyl-N,N-diphenyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline;1,3,6-trimethyl-2-(2-methyl-4-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methyl-5-phenylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-(2-methylphenyl)pyrazin-1-ium;1,3,6-trimethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-1-ium;N,N,3-trimethyl-4-(1,3,6-trimethylpyrazin-1-ium-2-yl)aniline is sourced from PubChem (CID 158652582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).