3-tert-butyl-1H-pyrazine

C8H12N2 — CID 129280001

IUPAC3-tert-butyl-1H-pyrazine
SMILESCC(C)(C)C1=CNC=C=N1
InChIInChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4,6,9H,1-3H3
InChIKeyBEQUPMXXAQVKOA-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.66
Rot. Bonds

About 3-tert-butyl-1H-pyrazine

3-tert-butyl-1H-pyrazine (PubChem CID 129280001) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-tert-butyl-1H-pyrazine.

Molecular Properties

Compound Name3-tert-butyl-1H-pyrazine
PubChem CID129280001
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-tert-butyl-1H-pyrazine
SMILESCC(C)(C)C1=CNC=C=N1
InChIInChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4,6,9H,1-3H3
InChIKeyBEQUPMXXAQVKOA-UHFFFAOYSA-N
XLogP1.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1H-pyrazine?
The IUPAC name of 3-tert-butyl-1H-pyrazine (CID 129280001) is 3-tert-butyl-1H-pyrazine.
What is the SMILES notation for 3-tert-butyl-1H-pyrazine?
The canonical SMILES for 3-tert-butyl-1H-pyrazine is CC(C)(C)C1=CNC=C=N1.
What is the InChIKey of 3-tert-butyl-1H-pyrazine?
The InChIKey is BEQUPMXXAQVKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4,6,9H,1-3H3.
What are the key properties of 3-tert-butyl-1H-pyrazine?
3-tert-butyl-1H-pyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1H-pyrazine is sourced from PubChem (CID 129280001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).