2,5-ditert-butylpyrazine

C12H20N2 — CID 600920

IUPAC2,5-ditert-butylpyrazine
SMILESCC(C)(C)c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-14-10(8-13-9)12(4,5)6/h7-8H,1-6H3
InChIKeyNMMZWWJVCYMQAI-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.07
Rot. Bonds

About 2,5-ditert-butylpyrazine

2,5-ditert-butylpyrazine (PubChem CID 600920) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,5-ditert-butylpyrazine.

Molecular Properties

Compound Name2,5-ditert-butylpyrazine
PubChem CID600920
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,5-ditert-butylpyrazine
SMILESCC(C)(C)c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-14-10(8-13-9)12(4,5)6/h7-8H,1-6H3
InChIKeyNMMZWWJVCYMQAI-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylpyrazine?
The IUPAC name of 2,5-ditert-butylpyrazine (CID 600920) is 2,5-ditert-butylpyrazine.
What is the SMILES notation for 2,5-ditert-butylpyrazine?
The canonical SMILES for 2,5-ditert-butylpyrazine is CC(C)(C)c1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2,5-ditert-butylpyrazine?
The InChIKey is NMMZWWJVCYMQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2,3)9-7-14-10(8-13-9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,5-ditert-butylpyrazine?
2,5-ditert-butylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylpyrazine is sourced from PubChem (CID 600920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).