2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine

C20H21N4+ — CID 140839543

IUPAC2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
SMILESCc1cc2c(cc1-c1cncc[n+]1C)N(C)c1ccccc1N2C
InChIInChI=1S/C20H21N4/c1-14-11-18-19(12-15(14)20-13-21-9-10-22(20)2)24(4)17-8-6-5-7-16(17)23(18)3/h5-13H,1-4H3/q+1
InChIKeyCGRFKPLGHCVYDG-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.73
Rot. Bonds1

About 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine

2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine (PubChem CID 140839543) has the molecular formula C20H21N4+ and a molecular weight of 317.42 g/mol. Its IUPAC name is 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine.

Molecular Properties

Compound Name2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
PubChem CID140839543
Molecular FormulaC20H21N4+
Molecular Weight317.42 g/mol
Exact Mass317.18
IUPAC Name2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
SMILESCc1cc2c(cc1-c1cncc[n+]1C)N(C)c1ccccc1N2C
InChIInChI=1S/C20H21N4/c1-14-11-18-19(12-15(14)20-13-21-9-10-22(20)2)24(4)17-8-6-5-7-16(17)23(18)3/h5-13H,1-4H3/q+1
InChIKeyCGRFKPLGHCVYDG-UHFFFAOYSA-N
XLogP3.73
TPSA23.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
CID 140839431
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
CID 171746802
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
CID 140839654
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
CID 140839568
5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
CID 122433704
1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
CID 140839672
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
2-iodo-5,10-dimethylphenazine
CID 70972708
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760

Frequently Asked Questions

What is the IUPAC name of 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine?
The IUPAC name of 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine (CID 140839543) is 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine.
What is the SMILES notation for 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine?
The canonical SMILES for 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine is Cc1cc2c(cc1-c1cncc[n+]1C)N(C)c1ccccc1N2C.
What is the InChIKey of 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine?
The InChIKey is CGRFKPLGHCVYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N4/c1-14-11-18-19(12-15(14)20-13-21-9-10-22(20)2)24(4)17-8-6-5-7-16(17)23(18)3/h5-13H,1-4H3/q+1.
What are the key properties of 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine?
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine has a molecular weight of 317.42 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine is sourced from PubChem (CID 140839543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).