2-(3,5-ditert-butylphenyl)pyrazine

C18H24N2 — CID 175590155

IUPAC2-(3,5-ditert-butylphenyl)pyrazine
SMILESCC(C)(C)c1cc(-c2cnccn2)cc(C(C)(C)C)c1
InChIInChI=1S/C18H24N2/c1-17(2,3)14-9-13(16-12-19-7-8-20-16)10-15(11-14)18(4,5)6/h7-12H,1-6H3
InChIKeyUGGCLOXRVPFZNI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.74
Rot. Bonds1

About 2-(3,5-ditert-butylphenyl)pyrazine

2-(3,5-ditert-butylphenyl)pyrazine (PubChem CID 175590155) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)pyrazine.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)pyrazine
PubChem CID175590155
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-(3,5-ditert-butylphenyl)pyrazine
SMILESCC(C)(C)c1cc(-c2cnccn2)cc(C(C)(C)C)c1
InChIInChI=1S/C18H24N2/c1-17(2,3)14-9-13(16-12-19-7-8-20-16)10-15(11-14)18(4,5)6/h7-12H,1-6H3
InChIKeyUGGCLOXRVPFZNI-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)pyrazine?
The IUPAC name of 2-(3,5-ditert-butylphenyl)pyrazine (CID 175590155) is 2-(3,5-ditert-butylphenyl)pyrazine.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)pyrazine?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)pyrazine is CC(C)(C)c1cc(-c2cnccn2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)pyrazine?
The InChIKey is UGGCLOXRVPFZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-17(2,3)14-9-13(16-12-19-7-8-20-16)10-15(11-14)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)pyrazine?
2-(3,5-ditert-butylphenyl)pyrazine has a molecular weight of 268.40 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)pyrazine is sourced from PubChem (CID 175590155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).