2,3,5-triethyl-6-methylpyrazine

C11H18N2 — CID 53428898

IUPAC2,3,5-triethyl-6-methylpyrazine
SMILESCCc1nc(CC)c(CC)nc1C
InChIInChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3
InChIKeyICSINJKWHMSKAK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.47
Rot. Bonds3

About 2,3,5-triethyl-6-methylpyrazine

2,3,5-triethyl-6-methylpyrazine (PubChem CID 53428898) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,5-triethyl-6-methylpyrazine.

Molecular Properties

Compound Name2,3,5-triethyl-6-methylpyrazine
PubChem CID53428898
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,5-triethyl-6-methylpyrazine
SMILESCCc1nc(CC)c(CC)nc1C
InChIInChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3
InChIKeyICSINJKWHMSKAK-UHFFFAOYSA-N
XLogP2.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5-triethyl-6-methylpyrazine 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

2,3,5-Trimethyl-6-propylpyrazine
CID 586005
2,5-Diethyl-3,6-dimethylpyrazine
CID 12669071
2,6-Diethyl-3,5-dimethylpyrazine
CID 22152543
2,3-Diethyl-5,6-dimethylpyrazine
CID 182198
2-Ethyl-3,5,6-trimethylpyrazine
CID 28518
2-Isobutyl-3,5,6-trimethylpyrazine
CID 521191
2-Butyl-3,5,6-trimethylpyrazine
CID 585784
Trimethyl-2-propenylpyrazine
CID 595263
Tetraethylpyrazine
CID 193761
2,3,5-Trimethyl-6-isopentylpyrazine
CID 517762
3,6-Dibutyl-2,5-dimethylpyrazine
CID 601225
2,3,5-Trimethyl-6-(2-methylbutyl)pyrazine
CID 528105

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethyl-6-methylpyrazine?
The IUPAC name of 2,3,5-triethyl-6-methylpyrazine (CID 53428898) is 2,3,5-triethyl-6-methylpyrazine.
What is the SMILES notation for 2,3,5-triethyl-6-methylpyrazine?
The canonical SMILES for 2,3,5-triethyl-6-methylpyrazine is CCc1nc(CC)c(CC)nc1C.
What is the InChIKey of 2,3,5-triethyl-6-methylpyrazine?
The InChIKey is ICSINJKWHMSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3.
What are the key properties of 2,3,5-triethyl-6-methylpyrazine?
2,3,5-triethyl-6-methylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethyl-6-methylpyrazine is sourced from PubChem (CID 53428898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).