2-butan-2-ylpyrazine

C8H12N2 — CID 528053

IUPAC2-butan-2-ylpyrazine
SMILESCCC(C)c1cnccn1
InChIInChI=1S/C8H12N2/c1-3-7(2)8-6-9-4-5-10-8/h4-7H,3H2,1-2H3
InChIKeyNFFQZEXYZVZKNN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.99
Rot. Bonds2

About 2-butan-2-ylpyrazine

2-butan-2-ylpyrazine (PubChem CID 528053) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-butan-2-ylpyrazine.

Molecular Properties

Compound Name2-butan-2-ylpyrazine
PubChem CID528053
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-butan-2-ylpyrazine
SMILESCCC(C)c1cnccn1
InChIInChI=1S/C8H12N2/c1-3-7(2)8-6-9-4-5-10-8/h4-7H,3H2,1-2H3
InChIKeyNFFQZEXYZVZKNN-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-ylpyrazine 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 2-butan-2-ylpyrazine?
The IUPAC name of 2-butan-2-ylpyrazine (CID 528053) is 2-butan-2-ylpyrazine.
What is the SMILES notation for 2-butan-2-ylpyrazine?
The canonical SMILES for 2-butan-2-ylpyrazine is CCC(C)c1cnccn1.
What is the InChIKey of 2-butan-2-ylpyrazine?
The InChIKey is NFFQZEXYZVZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7(2)8-6-9-4-5-10-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylpyrazine?
2-butan-2-ylpyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyrazine is sourced from PubChem (CID 528053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).