2-benzyl-3-methoxypyrazine

C12H12N2O — CID 67080977

IUPAC2-benzyl-3-methoxypyrazine
SMILESCOc1nccnc1Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-15-12-11(13-7-8-14-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyRWUPPTDVUAROJO-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds3

About 2-benzyl-3-methoxypyrazine

2-benzyl-3-methoxypyrazine (PubChem CID 67080977) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-benzyl-3-methoxypyrazine.

Molecular Properties

Compound Name2-benzyl-3-methoxypyrazine
PubChem CID67080977
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-benzyl-3-methoxypyrazine
SMILESCOc1nccnc1Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-15-12-11(13-7-8-14-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyRWUPPTDVUAROJO-UHFFFAOYSA-N
XLogP2.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxypyrazine?
The IUPAC name of 2-benzyl-3-methoxypyrazine (CID 67080977) is 2-benzyl-3-methoxypyrazine.
What is the SMILES notation for 2-benzyl-3-methoxypyrazine?
The canonical SMILES for 2-benzyl-3-methoxypyrazine is COc1nccnc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxypyrazine?
The InChIKey is RWUPPTDVUAROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12-11(13-7-8-14-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-benzyl-3-methoxypyrazine?
2-benzyl-3-methoxypyrazine has a molecular weight of 200.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxypyrazine is sourced from PubChem (CID 67080977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).