1,1,6-triethyl-2H-pyrazin-1-ium

C10H19N2+ — CID 122697242

IUPAC1,1,6-triethyl-2H-pyrazin-1-ium
SMILESCCC1=CN=CC[N+]1(CC)CC
InChIInChI=1S/C10H19N2/c1-4-10-9-11-7-8-12(10,5-2)6-3/h7,9H,4-6,8H2,1-3H3/q+1
InChIKeyLQQIXYHRZNHKPW-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.18
Rot. Bonds3

About 1,1,6-triethyl-2H-pyrazin-1-ium

1,1,6-triethyl-2H-pyrazin-1-ium (PubChem CID 122697242) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is 1,1,6-triethyl-2H-pyrazin-1-ium.

Molecular Properties

Compound Name1,1,6-triethyl-2H-pyrazin-1-ium
PubChem CID122697242
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name1,1,6-triethyl-2H-pyrazin-1-ium
SMILESCCC1=CN=CC[N+]1(CC)CC
InChIInChI=1S/C10H19N2/c1-4-10-9-11-7-8-12(10,5-2)6-3/h7,9H,4-6,8H2,1-3H3/q+1
InChIKeyLQQIXYHRZNHKPW-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.18
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

1,6-Dimethylpyrazine
CID 90455649
1,5-dimethyl-2H-pyrazine
CID 20164412
6-ethyl-1-methyl-2H-pyrazine
CID 53798884
1,2-dimethyl-5-propan-2-yl-2H-pyrazine
CID 54204493
N,N-dimethyl-3,4-dihydropyridin-5-amine
CID 57164331
1,6-ditert-butyl-2H-pyrazine
CID 58300108
5-Tert-butyl-1-methyl-2-methylidenepyrazine
CID 59549203
5-Tert-butyl-2-methylidene-1-propan-2-ylpyrazine
CID 59802694
N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine
CID 67632405
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

Frequently Asked Questions

What is the IUPAC name of 1,1,6-triethyl-2H-pyrazin-1-ium?
The IUPAC name of 1,1,6-triethyl-2H-pyrazin-1-ium (CID 122697242) is 1,1,6-triethyl-2H-pyrazin-1-ium.
What is the SMILES notation for 1,1,6-triethyl-2H-pyrazin-1-ium?
The canonical SMILES for 1,1,6-triethyl-2H-pyrazin-1-ium is CCC1=CN=CC[N+]1(CC)CC.
What is the InChIKey of 1,1,6-triethyl-2H-pyrazin-1-ium?
The InChIKey is LQQIXYHRZNHKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2/c1-4-10-9-11-7-8-12(10,5-2)6-3/h7,9H,4-6,8H2,1-3H3/q+1.
What are the key properties of 1,1,6-triethyl-2H-pyrazin-1-ium?
1,1,6-triethyl-2H-pyrazin-1-ium has a molecular weight of 167.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6-triethyl-2H-pyrazin-1-ium is sourced from PubChem (CID 122697242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).