1-methyl-3,5-diphenylpyrazin-1-ium perchlorate

C17H15ClN2O4 — CID 12065475

IUPAC1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
SMILESC[n+]1cc(-c2ccccc2)nc(-c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H15N2.ClHO4/c1-19-12-16(14-8-4-2-5-9-14)18-17(13-19)15-10-6-3-7-11-15;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCVWQVFVUOKUXFB-UHFFFAOYSA-M
MW346.77 g/mol
LogP-1.52
Rot. Bonds2

About 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate

1-methyl-3,5-diphenylpyrazin-1-ium perchlorate (PubChem CID 12065475) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate.

Molecular Properties

Compound Name1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
PubChem CID12065475
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
SMILESC[n+]1cc(-c2ccccc2)nc(-c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H15N2.ClHO4/c1-19-12-16(14-8-4-2-5-9-14)18-17(13-19)15-10-6-3-7-11-15;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCVWQVFVUOKUXFB-UHFFFAOYSA-M
XLogP-1.52
TPSA109.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate
CID 139154717
1-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-2,6-dimethyl-4-phenylpyridin-1-ium perchlorate
CID 54607926
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2-methyl-1-oxido-5-phenylpyrazin-1-ium
CID 12565971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate?
The IUPAC name of 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate (CID 12065475) is 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate.
What is the SMILES notation for 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate?
The canonical SMILES for 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate is C[n+]1cc(-c2ccccc2)nc(-c2ccccc2)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate?
The InChIKey is CVWQVFVUOKUXFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N2.ClHO4/c1-19-12-16(14-8-4-2-5-9-14)18-17(13-19)15-10-6-3-7-11-15;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate?
1-methyl-3,5-diphenylpyrazin-1-ium perchlorate has a molecular weight of 346.77 g/mol, XLogP of -1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-diphenylpyrazin-1-ium perchlorate is sourced from PubChem (CID 12065475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).