1-methylpyrazin-1-ium

C10H14N4+2 — CID 159890742

IUPAC1-methylpyrazin-1-ium
SMILESC[n+]1ccncc1.C[n+]1ccncc1
InChIInChI=1S/2C5H7N2/c2*1-7-4-2-6-3-5-7/h2*2-5H,1H3/q2*+1
InChIKeyNUSIIARRKAGHCA-UHFFFAOYSA-N
MW190.25 g/mol
LogP-0.19
Rot. Bonds

About 1-methylpyrazin-1-ium

1-methylpyrazin-1-ium (PubChem CID 159890742) has the molecular formula C10H14N4+2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-methylpyrazin-1-ium.

Molecular Properties

Compound Name1-methylpyrazin-1-ium
PubChem CID159890742
Molecular FormulaC10H14N4+2
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-methylpyrazin-1-ium
SMILESC[n+]1ccncc1.C[n+]1ccncc1
InChIInChI=1S/2C5H7N2/c2*1-7-4-2-6-3-5-7/h2*2-5H,1H3/q2*+1
InChIKeyNUSIIARRKAGHCA-UHFFFAOYSA-N
XLogP-0.19
TPSA33.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-pyridin-4-ylpyridin-1-ium;hydrochloride
CID 174834692
3-iodo-1-methylpyrazin-1-ium
CID 152785517
3-fluoro-1-methylpyrazin-1-ium
CID 19788558
methane;1-methylpyridin-1-ium;2-methylpyrimidine
CID 162117195
1-oxidopyrazin-1-ium;hydrobromide
CID 175296083
2-(1-methylpyridin-1-ium-4-yl)pyrimidine bromide
CID 12629383
ethane;pyrazine
CID 91065767
cumene;ethane;1-methyl-4-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158640767
CID 140577138
CID 140577138
2,2-dimethylpropane;pyrazine
CID 143896463
manganese;pyrazine
CID 159574083
iron(2+);pyrazine
CID 175741180

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazin-1-ium?
The IUPAC name of 1-methylpyrazin-1-ium (CID 159890742) is 1-methylpyrazin-1-ium.
What is the SMILES notation for 1-methylpyrazin-1-ium?
The canonical SMILES for 1-methylpyrazin-1-ium is C[n+]1ccncc1.C[n+]1ccncc1.
What is the InChIKey of 1-methylpyrazin-1-ium?
The InChIKey is NUSIIARRKAGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N2/c2*1-7-4-2-6-3-5-7/h2*2-5H,1H3/q2*+1.
What are the key properties of 1-methylpyrazin-1-ium?
1-methylpyrazin-1-ium has a molecular weight of 190.25 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazin-1-ium is sourced from PubChem (CID 159890742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).