2-ethyl-5-phenylpyrazine

C12H12N2 — CID 22355264

IUPAC2-ethyl-5-phenylpyrazine
SMILESCCc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C12H12N2/c1-2-11-8-14-12(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUOPBPIXZFBCJQW-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-5-phenylpyrazine

2-ethyl-5-phenylpyrazine (PubChem CID 22355264) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-ethyl-5-phenylpyrazine.

Molecular Properties

Compound Name2-ethyl-5-phenylpyrazine
PubChem CID22355264
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-ethyl-5-phenylpyrazine
SMILESCCc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C12H12N2/c1-2-11-8-14-12(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUOPBPIXZFBCJQW-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenylpyrazine?
The IUPAC name of 2-ethyl-5-phenylpyrazine (CID 22355264) is 2-ethyl-5-phenylpyrazine.
What is the SMILES notation for 2-ethyl-5-phenylpyrazine?
The canonical SMILES for 2-ethyl-5-phenylpyrazine is CCc1cnc(-c2ccccc2)cn1.
What is the InChIKey of 2-ethyl-5-phenylpyrazine?
The InChIKey is UOPBPIXZFBCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-11-8-14-12(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-5-phenylpyrazine?
2-ethyl-5-phenylpyrazine has a molecular weight of 184.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenylpyrazine is sourced from PubChem (CID 22355264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).