5-methyl-2,3-diphenylpyrazine

C17H14N2 — CID 12652248

IUPAC5-methyl-2,3-diphenylpyrazine
SMILESCc1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyXKSJFAVKODCELZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.12
Rot. Bonds2

About 5-methyl-2,3-diphenylpyrazine

5-methyl-2,3-diphenylpyrazine (PubChem CID 12652248) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-2,3-diphenylpyrazine.

Molecular Properties

Compound Name5-methyl-2,3-diphenylpyrazine
PubChem CID12652248
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name5-methyl-2,3-diphenylpyrazine
SMILESCc1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H14N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyXKSJFAVKODCELZ-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenylpyrazine?
The IUPAC name of 5-methyl-2,3-diphenylpyrazine (CID 12652248) is 5-methyl-2,3-diphenylpyrazine.
What is the SMILES notation for 5-methyl-2,3-diphenylpyrazine?
The canonical SMILES for 5-methyl-2,3-diphenylpyrazine is Cc1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2,3-diphenylpyrazine?
The InChIKey is XKSJFAVKODCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 5-methyl-2,3-diphenylpyrazine?
5-methyl-2,3-diphenylpyrazine has a molecular weight of 246.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenylpyrazine is sourced from PubChem (CID 12652248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).