1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium

C23H25N2+ — CID 158322918

IUPAC1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium
SMILESCc1ccccc1-c1cnc2c([n+]1C)Cc1c(CC(C)C)cccc1-2
InChIInChI=1S/C23H25N2/c1-15(2)12-17-9-7-11-19-20(17)13-21-23(19)24-14-22(25(21)4)18-10-6-5-8-16(18)3/h5-11,14-15H,12-13H2,1-4H3/q+1
InChIKeyXVPXPQAWNISHBF-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.65
Rot. Bonds3

About 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium

1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium (PubChem CID 158322918) has the molecular formula C23H25N2+ and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium
PubChem CID158322918
Molecular FormulaC23H25N2+
Molecular Weight329.47 g/mol
Exact Mass329.20
IUPAC Name1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium
SMILESCc1ccccc1-c1cnc2c([n+]1C)Cc1c(CC(C)C)cccc1-2
InChIInChI=1S/C23H25N2/c1-15(2)12-17-9-7-11-19-20(17)13-21-23(19)24-14-22(25(21)4)18-10-6-5-8-16(18)3/h5-11,14-15H,12-13H2,1-4H3/q+1
InChIKeyXVPXPQAWNISHBF-UHFFFAOYSA-N
XLogP4.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
CID 123934161
1-(2-methylpropyl)-9H-fluorene
CID 87557268
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
5-(2,5-dimethylphenyl)-6-methyl-3,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 158322913
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium
CID 159192482
6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
CID 123543287
6-methyl-5-(2-methylphenyl)-10-aza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159164422
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
CID 123928150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium (CID 158322918) is 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium is Cc1ccccc1-c1cnc2c([n+]1C)Cc1c(CC(C)C)cccc1-2.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium?
The InChIKey is XVPXPQAWNISHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2/c1-15(2)12-17-9-7-11-19-20(17)13-21-23(19)24-14-22(25(21)4)18-10-6-5-8-16(18)3/h5-11,14-15H,12-13H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium?
1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium has a molecular weight of 329.47 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium is sourced from PubChem (CID 158322918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).