2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine

C22H24N3+ — CID 140839654

IUPAC2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
SMILESCc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1N2C
InChIInChI=1S/C22H24N3/c1-15-10-11-18-21(20(15)19-14-23-12-13-24(19)4)22(2,3)16-8-6-7-9-17(16)25(18)5/h6-14H,1-5H3/q+1
InChIKeyYLASGUVWRIWWPT-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.29
Rot. Bonds1

About 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine

2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine (PubChem CID 140839654) has the molecular formula C22H24N3+ and a molecular weight of 330.46 g/mol. Its IUPAC name is 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine.

Molecular Properties

Compound Name2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
PubChem CID140839654
Molecular FormulaC22H24N3+
Molecular Weight330.46 g/mol
Exact Mass330.20
IUPAC Name2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
SMILESCc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1N2C
InChIInChI=1S/C22H24N3/c1-15-10-11-18-21(20(15)19-14-23-12-13-24(19)4)22(2,3)16-8-6-7-9-17(16)25(18)5/h6-14H,1-5H3/q+1
InChIKeyYLASGUVWRIWWPT-UHFFFAOYSA-N
XLogP4.29
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
CID 140839672
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
9,9,10-trimethylacridine
CID 610451
9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
CID 166052158
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
3-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-9,9,10-trimethylacridine
CID 166051128
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
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
1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916879
5,5,7-trimethyl-6-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[1,2-b]pyridine
CID 123768429

Frequently Asked Questions

What is the IUPAC name of 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine?
The IUPAC name of 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine (CID 140839654) is 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine.
What is the SMILES notation for 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine?
The canonical SMILES for 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine is Cc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1N2C.
What is the InChIKey of 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine?
The InChIKey is YLASGUVWRIWWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3/c1-15-10-11-18-21(20(15)19-14-23-12-13-24(19)4)22(2,3)16-8-6-7-9-17(16)25(18)5/h6-14H,1-5H3/q+1.
What are the key properties of 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine?
2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine has a molecular weight of 330.46 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine is sourced from PubChem (CID 140839654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).