3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium

C9H17N2+ — CID 91163840

IUPAC3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
SMILESCCC1=NC=C(C)[N+](C)(C)C1
InChIInChI=1S/C9H17N2/c1-5-9-7-11(3,4)8(2)6-10-9/h6H,5,7H2,1-4H3/q+1
InChIKeyYMWXJYZPHPWOBI-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium

3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium (PubChem CID 91163840) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium.

Molecular Properties

Compound Name3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
PubChem CID91163840
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
SMILESCCC1=NC=C(C)[N+](C)(C)C1
InChIInChI=1S/C9H17N2/c1-5-9-7-11(3,4)8(2)6-10-9/h6H,5,7H2,1-4H3/q+1
InChIKeyYMWXJYZPHPWOBI-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-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

1,3,5-Trimethyl-1,2-dihydropyrazine
CID 45087193
2,4,5-Trimethylpyrazine
CID 89439351
2,3,4-Trimethyl-6-propylpyrazine
CID 123522565
1,2,3,6-tetramethyl-2H-pyrazine
CID 67745664
1,2,3,5-tetramethyl-2H-pyrazine
CID 70381448
1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
2,3,5-trimethyl-1-prop-1-enyl-2H-pyrazine
CID 86055709
N-(2-piperidin-1-ylprop-1-enyl)propan-2-imine
CID 91104453
4-Ethyl-1,7-dimethyl-5,6-dihydro-1,4-diazepin-1-ium
CID 123307482
N-methyl-N-(2-methyliminopropyl)but-1-en-2-amine
CID 123450015
1-[Butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
CID 123900068
2-ethyl-1,6-dimethyl-2H-pyrazine
CID 132077535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium?
The IUPAC name of 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium (CID 91163840) is 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium.
What is the SMILES notation for 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium?
The canonical SMILES for 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium is CCC1=NC=C(C)[N+](C)(C)C1.
What is the InChIKey of 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium?
The InChIKey is YMWXJYZPHPWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-5-9-7-11(3,4)8(2)6-10-9/h6H,5,7H2,1-4H3/q+1.
What are the key properties of 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium?
3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium has a molecular weight of 153.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium is sourced from PubChem (CID 91163840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).