ethane;2-methyl-6-(4-phenylphenyl)pyrazine

C21H26N2 — CID 144588851

IUPACethane;2-methyl-6-(4-phenylphenyl)pyrazine
SMILESCC.CC.Cc1cncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2.2C2H6/c1-13-11-18-12-17(19-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;2*1-2/h2-12H,1H3;2*1-2H3
InChIKeyKWCAHCMTGNMKMT-UHFFFAOYSA-N
MW306.45 g/mol
LogP6.17
Rot. Bonds2

About ethane;2-methyl-6-(4-phenylphenyl)pyrazine

ethane;2-methyl-6-(4-phenylphenyl)pyrazine (PubChem CID 144588851) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;2-methyl-6-(4-phenylphenyl)pyrazine.

Molecular Properties

Compound Nameethane;2-methyl-6-(4-phenylphenyl)pyrazine
PubChem CID144588851
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Nameethane;2-methyl-6-(4-phenylphenyl)pyrazine
SMILESCC.CC.Cc1cncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2.2C2H6/c1-13-11-18-12-17(19-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;2*1-2/h2-12H,1H3;2*1-2H3
InChIKeyKWCAHCMTGNMKMT-UHFFFAOYSA-N
XLogP6.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(4-phenylphenyl)pyrazine?
The IUPAC name of ethane;2-methyl-6-(4-phenylphenyl)pyrazine (CID 144588851) is ethane;2-methyl-6-(4-phenylphenyl)pyrazine.
What is the SMILES notation for ethane;2-methyl-6-(4-phenylphenyl)pyrazine?
The canonical SMILES for ethane;2-methyl-6-(4-phenylphenyl)pyrazine is CC.CC.Cc1cncc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of ethane;2-methyl-6-(4-phenylphenyl)pyrazine?
The InChIKey is KWCAHCMTGNMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.2C2H6/c1-13-11-18-12-17(19-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;2*1-2/h2-12H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-(4-phenylphenyl)pyrazine?
ethane;2-methyl-6-(4-phenylphenyl)pyrazine has a molecular weight of 306.45 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(4-phenylphenyl)pyrazine is sourced from PubChem (CID 144588851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).