2,3,5-trimethyl-6-propylpyrazine

C10H16N2 — CID 586005

IUPAC2,3,5-trimethyl-6-propylpyrazine
SMILESCCCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3
InChIKeyGEPYSCIASYXPCY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.35
Rot. Bonds2

About 2,3,5-trimethyl-6-propylpyrazine

2,3,5-trimethyl-6-propylpyrazine (PubChem CID 586005) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-propylpyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-propylpyrazine
PubChem CID586005
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3,5-trimethyl-6-propylpyrazine
SMILESCCCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3
InChIKeyGEPYSCIASYXPCY-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-propylpyrazine?
The IUPAC name of 2,3,5-trimethyl-6-propylpyrazine (CID 586005) is 2,3,5-trimethyl-6-propylpyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-propylpyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-propylpyrazine is CCCc1nc(C)c(C)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-propylpyrazine?
The InChIKey is GEPYSCIASYXPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-6-propylpyrazine?
2,3,5-trimethyl-6-propylpyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-propylpyrazine is sourced from PubChem (CID 586005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).