trimethyl(2-pyrazin-2-ylethyl)azanium

C9H16N3+ — CID 14362259

IUPACtrimethyl(2-pyrazin-2-ylethyl)azanium
SMILESC[N+](C)(C)CCc1cnccn1
InChIInChI=1S/C9H16N3/c1-12(2,3)7-4-9-8-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3/q+1
InChIKeyNDMSTDYXDVASJD-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.73
Rot. Bonds3

About trimethyl(2-pyrazin-2-ylethyl)azanium

trimethyl(2-pyrazin-2-ylethyl)azanium (PubChem CID 14362259) has the molecular formula C9H16N3+ and a molecular weight of 166.25 g/mol. Its IUPAC name is trimethyl(2-pyrazin-2-ylethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-pyrazin-2-ylethyl)azanium
PubChem CID14362259
Molecular FormulaC9H16N3+
Molecular Weight166.25 g/mol
Exact Mass166.13
IUPAC Nametrimethyl(2-pyrazin-2-ylethyl)azanium
SMILESC[N+](C)(C)CCc1cnccn1
InChIInChI=1S/C9H16N3/c1-12(2,3)7-4-9-8-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3/q+1
InChIKeyNDMSTDYXDVASJD-UHFFFAOYSA-N
XLogP0.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylpyrazine
CID 31252
2,6-Dimethylpyrazine
CID 7938
Trimethylpyrazine
CID 26808
2,3-Diethyl-5-Methylpyrazine
CID 28905
Pyrazineethanethiol
CID 61945
2-Methylpyrazine
CID 7976
2-Ethyl-3-Methylpyrazine
CID 27457
2,3-Dimethylpyrazine
CID 22201
2-Ethyl-5-methylpyrazine
CID 25915
3-Ethyl-2,5-dimethylpyrazine
CID 25916
2-Ethylpyrazine
CID 26331
2-Ethyl-6-methylpyrazine
CID 26332

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-pyrazin-2-ylethyl)azanium?
The IUPAC name of trimethyl(2-pyrazin-2-ylethyl)azanium (CID 14362259) is trimethyl(2-pyrazin-2-ylethyl)azanium.
What is the SMILES notation for trimethyl(2-pyrazin-2-ylethyl)azanium?
The canonical SMILES for trimethyl(2-pyrazin-2-ylethyl)azanium is C[N+](C)(C)CCc1cnccn1.
What is the InChIKey of trimethyl(2-pyrazin-2-ylethyl)azanium?
The InChIKey is NDMSTDYXDVASJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3/c1-12(2,3)7-4-9-8-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3/q+1.
What are the key properties of trimethyl(2-pyrazin-2-ylethyl)azanium?
trimethyl(2-pyrazin-2-ylethyl)azanium has a molecular weight of 166.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrazin-2-ylethyl)azanium is sourced from PubChem (CID 14362259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).