2,3-dimethyl-5-propylpyrazine

C9H14N2 — CID 520566

IUPAC2,3-dimethyl-5-propylpyrazine
SMILESCCCc1cnc(C)c(C)n1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3
InChIKeyRHCYSZMTNWMCOO-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.05
Rot. Bonds2

About 2,3-dimethyl-5-propylpyrazine

2,3-dimethyl-5-propylpyrazine (PubChem CID 520566) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3-dimethyl-5-propylpyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-propylpyrazine
PubChem CID520566
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,3-dimethyl-5-propylpyrazine
SMILESCCCc1cnc(C)c(C)n1
InChIInChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3
InChIKeyRHCYSZMTNWMCOO-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propylpyrazine?
The IUPAC name of 2,3-dimethyl-5-propylpyrazine (CID 520566) is 2,3-dimethyl-5-propylpyrazine.
What is the SMILES notation for 2,3-dimethyl-5-propylpyrazine?
The canonical SMILES for 2,3-dimethyl-5-propylpyrazine is CCCc1cnc(C)c(C)n1.
What is the InChIKey of 2,3-dimethyl-5-propylpyrazine?
The InChIKey is RHCYSZMTNWMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-propylpyrazine?
2,3-dimethyl-5-propylpyrazine has a molecular weight of 150.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propylpyrazine is sourced from PubChem (CID 520566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).