4-ethyl-1-methyl-2H-pyrazin-4-ium

C7H13N2+ — CID 23148541

IUPAC4-ethyl-1-methyl-2H-pyrazin-4-ium
SMILESCC[N+]1=CCN(C)C=C1
InChIInChI=1S/C7H13N2/c1-3-9-6-4-8(2)5-7-9/h4,6-7H,3,5H2,1-2H3/q+1
InChIKeyLCTZBMMGZRFBBF-UHFFFAOYSA-N
MW125.19 g/mol
LogP0.51
Rot. Bonds1

About 4-ethyl-1-methyl-2H-pyrazin-4-ium

4-ethyl-1-methyl-2H-pyrazin-4-ium (PubChem CID 23148541) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2H-pyrazin-4-ium.

Molecular Properties

Compound Name4-ethyl-1-methyl-2H-pyrazin-4-ium
PubChem CID23148541
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name4-ethyl-1-methyl-2H-pyrazin-4-ium
SMILESCC[N+]1=CCN(C)C=C1
InChIInChI=1S/C7H13N2/c1-3-9-6-4-8(2)5-7-9/h4,6-7H,3,5H2,1-2H3/q+1
InChIKeyLCTZBMMGZRFBBF-UHFFFAOYSA-N
XLogP0.51
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-methyl-2H-pyrazin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
Pyrazinamine, 4,5-dihydro-4-methyl-
CID 45116673

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2H-pyrazin-4-ium?
The IUPAC name of 4-ethyl-1-methyl-2H-pyrazin-4-ium (CID 23148541) is 4-ethyl-1-methyl-2H-pyrazin-4-ium.
What is the SMILES notation for 4-ethyl-1-methyl-2H-pyrazin-4-ium?
The canonical SMILES for 4-ethyl-1-methyl-2H-pyrazin-4-ium is CC[N+]1=CCN(C)C=C1.
What is the InChIKey of 4-ethyl-1-methyl-2H-pyrazin-4-ium?
The InChIKey is LCTZBMMGZRFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2/c1-3-9-6-4-8(2)5-7-9/h4,6-7H,3,5H2,1-2H3/q+1.
What are the key properties of 4-ethyl-1-methyl-2H-pyrazin-4-ium?
4-ethyl-1-methyl-2H-pyrazin-4-ium has a molecular weight of 125.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2H-pyrazin-4-ium is sourced from PubChem (CID 23148541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).