6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium

C8H15N2+ — CID 121452111

IUPAC6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium
SMILESCCC1=CN=CC[N+]1(C)C
InChIInChI=1S/C8H15N2/c1-4-8-7-9-5-6-10(8,2)3/h5,7H,4,6H2,1-3H3/q+1
InChIKeyQORHVVJZJPWTFT-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.40
Rot. Bonds1

About 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium

6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium (PubChem CID 121452111) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium.

Molecular Properties

Compound Name6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium
PubChem CID121452111
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium
SMILESCCC1=CN=CC[N+]1(C)C
InChIInChI=1S/C8H15N2/c1-4-8-7-9-5-6-10(8,2)3/h5,7H,4,6H2,1-3H3/q+1
InChIKeyQORHVVJZJPWTFT-UHFFFAOYSA-N
XLogP1.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-Trimethylpyrazine
CID 89439351
1,6-Dimethylpyrazine
CID 90455649
1,4-Diazabicyclo[4.2.0]octa-3,5-diene
CID 19977603
1,5-dimethyl-2H-pyrazine
CID 20164412
6-ethyl-1-methyl-2H-pyrazine
CID 53798884
N,N-dimethyl-3,4-dihydropyridin-5-amine
CID 57164331
1,6-ditert-butyl-2H-pyrazine
CID 58300108
1,2,6-trimethyl-2H-pyrazine
CID 90433233
1-ethyl-5-methyl-2H-pyrazine
CID 91488587
1,1-dimethyl-5-propyl-2H-pyrazin-1-ium
CID 117859484
2-ethyl-1,5-dimethyl-2H-pyrazine
CID 118312355
1,1,6-triethyl-2H-pyrazin-1-ium
CID 122697242

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium?
The IUPAC name of 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium (CID 121452111) is 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium.
What is the SMILES notation for 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium?
The canonical SMILES for 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium is CCC1=CN=CC[N+]1(C)C.
What is the InChIKey of 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium?
The InChIKey is QORHVVJZJPWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-4-8-7-9-5-6-10(8,2)3/h5,7H,4,6H2,1-3H3/q+1.
What are the key properties of 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium?
6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium has a molecular weight of 139.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium is sourced from PubChem (CID 121452111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).