2-methyl-1-oxido-5-phenylpyrazin-1-ium

C11H10N2O — CID 12565971

IUPAC2-methyl-1-oxido-5-phenylpyrazin-1-ium
SMILESCc1cnc(-c2ccccc2)c[n+]1[O-]
InChIInChI=1S/C11H10N2O/c1-9-7-12-11(8-13(9)14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyYUZKKQNIGXPHFB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.69
Rot. Bonds1

About 2-methyl-1-oxido-5-phenylpyrazin-1-ium

2-methyl-1-oxido-5-phenylpyrazin-1-ium (PubChem CID 12565971) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methyl-1-oxido-5-phenylpyrazin-1-ium.

Molecular Properties

Compound Name2-methyl-1-oxido-5-phenylpyrazin-1-ium
PubChem CID12565971
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-methyl-1-oxido-5-phenylpyrazin-1-ium
SMILESCc1cnc(-c2ccccc2)c[n+]1[O-]
InChIInChI=1S/C11H10N2O/c1-9-7-12-11(8-13(9)14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyYUZKKQNIGXPHFB-UHFFFAOYSA-N
XLogP1.69
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
CID 12065475
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
2-phenyl-4-(2,4,6-trimethylphenyl)-6-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 23528053
4-methyl-1-oxido-6-phenylpyridazin-1-ium
CID 67537960
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
6-(4-chlorophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
CID 11231429
2-phenyl-5-(2,3,4,5-tetrafluoro-6-methylphenyl)pyridine
CID 58224566
5-(2,6-dimethylphenoxy)-2-phenylpyridine
CID 168848324
4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole
CID 91438180
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxido-5-phenylpyrazin-1-ium?
The IUPAC name of 2-methyl-1-oxido-5-phenylpyrazin-1-ium (CID 12565971) is 2-methyl-1-oxido-5-phenylpyrazin-1-ium.
What is the SMILES notation for 2-methyl-1-oxido-5-phenylpyrazin-1-ium?
The canonical SMILES for 2-methyl-1-oxido-5-phenylpyrazin-1-ium is Cc1cnc(-c2ccccc2)c[n+]1[O-].
What is the InChIKey of 2-methyl-1-oxido-5-phenylpyrazin-1-ium?
The InChIKey is YUZKKQNIGXPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-7-12-11(8-13(9)14)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-methyl-1-oxido-5-phenylpyrazin-1-ium?
2-methyl-1-oxido-5-phenylpyrazin-1-ium has a molecular weight of 186.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxido-5-phenylpyrazin-1-ium is sourced from PubChem (CID 12565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).