1,1,4-trimethyl-2H-pyrazine-1,4-diium

C7H14N2+2 — CID 54272638

IUPAC1,1,4-trimethyl-2H-pyrazine-1,4-diium
SMILESC[N+]1=CC[N+](C)(C)C=C1
InChIInChI=1S/C7H14N2/c1-8-4-6-9(2,3)7-5-8/h4-6H,7H2,1-3H3/q+2
InChIKeyFYASCNHXTWMWEV-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.26
Rot. Bonds

About 1,1,4-trimethyl-2H-pyrazine-1,4-diium

1,1,4-trimethyl-2H-pyrazine-1,4-diium (PubChem CID 54272638) has the molecular formula C7H14N2+2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,1,4-trimethyl-2H-pyrazine-1,4-diium.

Molecular Properties

Compound Name1,1,4-trimethyl-2H-pyrazine-1,4-diium
PubChem CID54272638
Molecular FormulaC7H14N2+2
Molecular Weight126.20 g/mol
Exact Mass126.11
IUPAC Name1,1,4-trimethyl-2H-pyrazine-1,4-diium
SMILESC[N+]1=CC[N+](C)(C)C=C1
InChIInChI=1S/C7H14N2/c1-8-4-6-9(2,3)7-5-8/h4-6H,7H2,1-3H3/q+2
InChIKeyFYASCNHXTWMWEV-UHFFFAOYSA-N
XLogP0.26
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-Dimethylamino-2,5-diazafulvene
CID 10396839
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
Dihydromethylpyrazine
CID 21134130
N-ethylpyrazine
CID 90427580
Pyrazinium, 1,4-dimethyl-
CID 17841205
1-propan-2-yl-2H-pyrazine
CID 20641789
1,2-dimethyl-2H-pyrazine
CID 20728182
4-ethyl-1-methyl-2H-pyrazin-4-ium
CID 23148541
1,4-diethyl-2H-pyrazin-4-ium
CID 23148550
1,4-dipropyl-2H-pyrazin-4-ium
CID 23148557
4-ethyl-1-propyl-2H-pyrazin-4-ium
CID 23148560
4-methyl-1-propyl-2H-pyrazin-4-ium
CID 23148573

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethyl-2H-pyrazine-1,4-diium?
The IUPAC name of 1,1,4-trimethyl-2H-pyrazine-1,4-diium (CID 54272638) is 1,1,4-trimethyl-2H-pyrazine-1,4-diium.
What is the SMILES notation for 1,1,4-trimethyl-2H-pyrazine-1,4-diium?
The canonical SMILES for 1,1,4-trimethyl-2H-pyrazine-1,4-diium is C[N+]1=CC[N+](C)(C)C=C1.
What is the InChIKey of 1,1,4-trimethyl-2H-pyrazine-1,4-diium?
The InChIKey is FYASCNHXTWMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-4-6-9(2,3)7-5-8/h4-6H,7H2,1-3H3/q+2.
What are the key properties of 1,1,4-trimethyl-2H-pyrazine-1,4-diium?
1,1,4-trimethyl-2H-pyrazine-1,4-diium has a molecular weight of 126.20 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethyl-2H-pyrazine-1,4-diium is sourced from PubChem (CID 54272638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).