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

C18H15N2O2+ — CID 140839672

IUPAC1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
SMILESCc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1O2
InChIInChI=1S/C18H15N2O2/c1-12-7-8-16-18(17(12)13-11-19-9-10-20(13)2)22-15-6-4-3-5-14(15)21-16/h3-11H,1-2H3/q+1
InChIKeyJOBIOGVDMNORFX-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.78
Rot. Bonds1

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

1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium (PubChem CID 140839672) has the molecular formula C18H15N2O2+ and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
PubChem CID140839672
Molecular FormulaC18H15N2O2+
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
SMILESCc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1O2
InChIInChI=1S/C18H15N2O2/c1-12-7-8-16-18(17(12)13-11-19-9-10-20(13)2)22-15-6-4-3-5-14(15)21-16/h3-11H,1-2H3/q+1
InChIKeyJOBIOGVDMNORFX-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-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
CID 140839431
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzoxathiino[3,2-b]pyridine
CID 140839651
1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
CID 159729812
2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
CID 140839654
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
CID 140899480
5,13-dimethyl-14-(1-methylpyrazin-1-ium-2-yl)-8,16-dioxa-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 140827950
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-h]isoquinoline
CID 140827720
17-methyl-18-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)-20-oxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 155648886
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
CID 140899490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium (CID 140839672) is 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium is Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1O2.
What is the InChIKey of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium?
The InChIKey is JOBIOGVDMNORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O2/c1-12-7-8-16-18(17(12)13-11-19-9-10-20(13)2)22-15-6-4-3-5-14(15)21-16/h3-11H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium?
1-methyl-2-(2-methyldibenzo-p-dioxin-1-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-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium is sourced from PubChem (CID 140839672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).