2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine

C11H18N2 — CID 89018232

IUPAC2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCCc1nc(C)c(C)nc1C(C)C
InChIInChI=1S/C11H18N2/c1-6-10-11(7(2)3)13-9(5)8(4)12-10/h7H,6H2,1-5H3
InChIKeyXARLOXQDRULWLU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.78
Rot. Bonds2

About 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine

2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine (PubChem CID 89018232) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
PubChem CID89018232
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
SMILESCCc1nc(C)c(C)nc1C(C)C
InChIInChI=1S/C11H18N2/c1-6-10-11(7(2)3)13-9(5)8(4)12-10/h7H,6H2,1-5H3
InChIKeyXARLOXQDRULWLU-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine (CID 89018232) is 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine is CCc1nc(C)c(C)nc1C(C)C.
What is the InChIKey of 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine?
The InChIKey is XARLOXQDRULWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10-11(7(2)3)13-9(5)8(4)12-10/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine?
2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 89018232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).