2,3,5-trimethoxy-6-phenylpyrazine

C13H14N2O3 — CID 91152531

IUPAC2,3,5-trimethoxy-6-phenylpyrazine
SMILESCOc1nc(OC)c(-c2ccccc2)nc1OC
InChIInChI=1S/C13H14N2O3/c1-16-11-10(9-7-5-4-6-8-9)14-12(17-2)13(15-11)18-3/h4-8H,1-3H3
InChIKeyBYEAZEINYLZQQH-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.17
Rot. Bonds4

About 2,3,5-trimethoxy-6-phenylpyrazine

2,3,5-trimethoxy-6-phenylpyrazine (PubChem CID 91152531) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2,3,5-trimethoxy-6-phenylpyrazine.

Molecular Properties

Compound Name2,3,5-trimethoxy-6-phenylpyrazine
PubChem CID91152531
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2,3,5-trimethoxy-6-phenylpyrazine
SMILESCOc1nc(OC)c(-c2ccccc2)nc1OC
InChIInChI=1S/C13H14N2O3/c1-16-11-10(9-7-5-4-6-8-9)14-12(17-2)13(15-11)18-3/h4-8H,1-3H3
InChIKeyBYEAZEINYLZQQH-UHFFFAOYSA-N
XLogP2.17
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-6-phenylpyrazine?
The IUPAC name of 2,3,5-trimethoxy-6-phenylpyrazine (CID 91152531) is 2,3,5-trimethoxy-6-phenylpyrazine.
What is the SMILES notation for 2,3,5-trimethoxy-6-phenylpyrazine?
The canonical SMILES for 2,3,5-trimethoxy-6-phenylpyrazine is COc1nc(OC)c(-c2ccccc2)nc1OC.
What is the InChIKey of 2,3,5-trimethoxy-6-phenylpyrazine?
The InChIKey is BYEAZEINYLZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-11-10(9-7-5-4-6-8-9)14-12(17-2)13(15-11)18-3/h4-8H,1-3H3.
What are the key properties of 2,3,5-trimethoxy-6-phenylpyrazine?
2,3,5-trimethoxy-6-phenylpyrazine has a molecular weight of 246.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-6-phenylpyrazine is sourced from PubChem (CID 91152531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).