1,4-ditert-butylpyrazine

C12H22N2 — CID 59918155

IUPAC1,4-ditert-butylpyrazine
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C=C1
InChIInChI=1S/C12H22N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H,1-6H3
InChIKeyHMIOOYBMSDUBDB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds

About 1,4-ditert-butylpyrazine

1,4-ditert-butylpyrazine (PubChem CID 59918155) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,4-ditert-butylpyrazine.

Molecular Properties

Compound Name1,4-ditert-butylpyrazine
PubChem CID59918155
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,4-ditert-butylpyrazine
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C=C1
InChIInChI=1S/C12H22N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H,1-6H3
InChIKeyHMIOOYBMSDUBDB-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-ditert-butylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpyrazine?
The IUPAC name of 1,4-ditert-butylpyrazine (CID 59918155) is 1,4-ditert-butylpyrazine.
What is the SMILES notation for 1,4-ditert-butylpyrazine?
The canonical SMILES for 1,4-ditert-butylpyrazine is CC(C)(C)N1C=CN(C(C)(C)C)C=C1.
What is the InChIKey of 1,4-ditert-butylpyrazine?
The InChIKey is HMIOOYBMSDUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H,1-6H3.
What are the key properties of 1,4-ditert-butylpyrazine?
1,4-ditert-butylpyrazine has a molecular weight of 194.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpyrazine is sourced from PubChem (CID 59918155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).