1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium

C18H15N2O2+ — CID 140839431

IUPAC1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
SMILESCc1cc2c(cc1-c1cncc[n+]1C)Oc1ccccc1O2
InChIInChI=1S/C18H15N2O2/c1-12-9-17-18(22-16-6-4-3-5-15(16)21-17)10-13(12)14-11-19-7-8-20(14)2/h3-11H,1-2H3/q+1
InChIKeyQNAGAYUAEBPCQP-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.78
Rot. Bonds1

About 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium

1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium (PubChem CID 140839431) has the molecular formula C18H15N2O2+ and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
PubChem CID140839431
Molecular FormulaC18H15N2O2+
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
SMILESCc1cc2c(cc1-c1cncc[n+]1C)Oc1ccccc1O2
InChIInChI=1S/C18H15N2O2/c1-12-9-17-18(22-16-6-4-3-5-15(16)21-17)10-13(12)14-11-19-7-8-20(14)2/h3-11H,1-2H3/q+1
InChIKeyQNAGAYUAEBPCQP-UHFFFAOYSA-N
XLogP3.78
TPSA35.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
CID 140839672
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
CID 158756758
1-methyl-2-[3-methyl-10-[2-(2-methylphenoxy)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]pyridin-1-ium
CID 168787603
(5Z)-5-chromeno[2,3-c]pyridin-5-ylidenechromeno[2,3-c]pyridine
CID 118396540
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzoxathiino[3,2-b]pyridine
CID 140839651
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium?
The IUPAC name of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium (CID 140839431) is 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium is Cc1cc2c(cc1-c1cncc[n+]1C)Oc1ccccc1O2.
What is the InChIKey of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium?
The InChIKey is QNAGAYUAEBPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O2/c1-12-9-17-18(22-16-6-4-3-5-15(16)21-17)10-13(12)14-11-19-7-8-20(14)2/h3-11H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium?
1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium has a molecular weight of 291.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium is sourced from PubChem (CID 140839431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).