1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium

C21H26N3+ — CID 123976540

IUPAC1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
SMILESCc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1
InChIInChI=1S/C21H26N3/c1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5/h8-13H,7H2,1-6H3/q+1
InChIKeyWNVMSIZAKIVGOD-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.25
Rot. Bonds3

About 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium (PubChem CID 123976540) has the molecular formula C21H26N3+ and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium.

Molecular Properties

Compound Name1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
PubChem CID123976540
Molecular FormulaC21H26N3+
Molecular Weight320.46 g/mol
Exact Mass320.21
IUPAC Name1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
SMILESCc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1
InChIInChI=1S/C21H26N3/c1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5/h8-13H,7H2,1-6H3/q+1
InChIKeyWNVMSIZAKIVGOD-UHFFFAOYSA-N
XLogP4.25
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
CID 159004040
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium
CID 157093399
2-[2,5-dimethyl-3-(trideuteriomethyl)phenyl]-1-methyl-7-(2-methylpropyl)quinolin-1-ium
CID 159255688
1-methyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-1-ium
CID 169055457
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
CID 123934161
6-(5-cyclopentyl-2-pyridinyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-[5-(2,2-dimethylpropyl)-2-pyridinyl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-6-[5-(2-methylpropyl)-2-pyridinyl]-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 158373189
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
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123162268
1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
CID 164797263
6-(2-methylpropyl)-1-(2,3,5-trimethylphenyl)isoquinoline
CID 147107503
1,4-dimethyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-1-ium
CID 169055601
2,4-dimethyl-6-(2-methylpropyl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 176592527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?
The IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium (CID 123976540) is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium.
What is the SMILES notation for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?
The canonical SMILES for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium is Cc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1.
What is the InChIKey of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?
The InChIKey is WNVMSIZAKIVGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N3/c1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5/h8-13H,7H2,1-6H3/q+1.
What are the key properties of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium has a molecular weight of 320.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium is sourced from PubChem (CID 123976540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).