1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium

C23H17N4+ — CID 140737488

IUPAC1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium
SMILESc1ccc(-c2cnc3c(n2)n(-c2ccccc2)c[n+]3-c2ccccc2)cc1
InChIInChI=1S/C23H17N4/c1-4-10-18(11-5-1)21-16-24-22-23(25-21)27(20-14-8-3-9-15-20)17-26(22)19-12-6-2-7-13-19/h1-17H/q+1
InChIKeyVIYLATLBJMMWMM-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.36
Rot. Bonds3

About 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium

1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium (PubChem CID 140737488) has the molecular formula C23H17N4+ and a molecular weight of 349.42 g/mol. Its IUPAC name is 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium.

Molecular Properties

Compound Name1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium
PubChem CID140737488
Molecular FormulaC23H17N4+
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium
SMILESc1ccc(-c2cnc3c(n2)n(-c2ccccc2)c[n+]3-c2ccccc2)cc1
InChIInChI=1S/C23H17N4/c1-4-10-18(11-5-1)21-16-24-22-23(25-21)27(20-14-8-3-9-15-20)17-26(22)19-12-6-2-7-13-19/h1-17H/q+1
InChIKeyVIYLATLBJMMWMM-UHFFFAOYSA-N
XLogP4.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.36
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

1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
1,3-diphenylbenzimidazol-3-ium tetrafluoroborate
CID 87327223
4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
CID 25068459
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
CID 118103502
2-methoxy-3,5-diphenylpyrazine
CID 13123633
1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium
CID 89400582
1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium
CID 102390739
5-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 588207
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium?
The IUPAC name of 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium (CID 140737488) is 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium.
What is the SMILES notation for 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium?
The canonical SMILES for 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium is c1ccc(-c2cnc3c(n2)n(-c2ccccc2)c[n+]3-c2ccccc2)cc1.
What is the InChIKey of 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium?
The InChIKey is VIYLATLBJMMWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N4/c1-4-10-18(11-5-1)21-16-24-22-23(25-21)27(20-14-8-3-9-15-20)17-26(22)19-12-6-2-7-13-19/h1-17H/q+1.
What are the key properties of 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium?
1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium has a molecular weight of 349.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylimidazo[4,5-b]pyrazin-1-ium is sourced from PubChem (CID 140737488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).