2-ethoxy-3-methyl-5-propan-2-ylpyrazine

C10H16N2O — CID 528117

IUPAC2-ethoxy-3-methyl-5-propan-2-ylpyrazine
SMILESCCOc1ncc(C(C)C)nc1C
InChIInChI=1S/C10H16N2O/c1-5-13-10-8(4)12-9(6-11-10)7(2)3/h6-7H,5H2,1-4H3
InChIKeyDKHOUPCRCLQJMB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.31
Rot. Bonds3

About 2-ethoxy-3-methyl-5-propan-2-ylpyrazine

2-ethoxy-3-methyl-5-propan-2-ylpyrazine (PubChem CID 528117) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-5-propan-2-ylpyrazine
PubChem CID528117
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-ethoxy-3-methyl-5-propan-2-ylpyrazine
SMILESCCOc1ncc(C(C)C)nc1C
InChIInChI=1S/C10H16N2O/c1-5-13-10-8(4)12-9(6-11-10)7(2)3/h6-7H,5H2,1-4H3
InChIKeyDKHOUPCRCLQJMB-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-5-propan-2-ylpyrazine?
The IUPAC name of 2-ethoxy-3-methyl-5-propan-2-ylpyrazine (CID 528117) is 2-ethoxy-3-methyl-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-ethoxy-3-methyl-5-propan-2-ylpyrazine?
The canonical SMILES for 2-ethoxy-3-methyl-5-propan-2-ylpyrazine is CCOc1ncc(C(C)C)nc1C.
What is the InChIKey of 2-ethoxy-3-methyl-5-propan-2-ylpyrazine?
The InChIKey is DKHOUPCRCLQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-13-10-8(4)12-9(6-11-10)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3-methyl-5-propan-2-ylpyrazine?
2-ethoxy-3-methyl-5-propan-2-ylpyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-5-propan-2-ylpyrazine is sourced from PubChem (CID 528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).