3,6-ditert-butyl-1-methyl-2H-pyrazine

C13H24N2 — CID 134369011

IUPAC3,6-ditert-butyl-1-methyl-2H-pyrazine
SMILESCN1CC(C(C)(C)C)=NC=C1C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10-9-15(7)11(8-14-10)13(4,5)6/h8H,9H2,1-7H3
InChIKeyLTXKLFYQIRLWFR-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.31
Rot. Bonds

About 3,6-ditert-butyl-1-methyl-2H-pyrazine

3,6-ditert-butyl-1-methyl-2H-pyrazine (PubChem CID 134369011) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-methyl-2H-pyrazine.

Molecular Properties

Compound Name3,6-ditert-butyl-1-methyl-2H-pyrazine
PubChem CID134369011
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,6-ditert-butyl-1-methyl-2H-pyrazine
SMILESCN1CC(C(C)(C)C)=NC=C1C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10-9-15(7)11(8-14-10)13(4,5)6/h8H,9H2,1-7H3
InChIKeyLTXKLFYQIRLWFR-UHFFFAOYSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
CID 150909920

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-methyl-2H-pyrazine?
The IUPAC name of 3,6-ditert-butyl-1-methyl-2H-pyrazine (CID 134369011) is 3,6-ditert-butyl-1-methyl-2H-pyrazine.
What is the SMILES notation for 3,6-ditert-butyl-1-methyl-2H-pyrazine?
The canonical SMILES for 3,6-ditert-butyl-1-methyl-2H-pyrazine is CN1CC(C(C)(C)C)=NC=C1C(C)(C)C.
What is the InChIKey of 3,6-ditert-butyl-1-methyl-2H-pyrazine?
The InChIKey is LTXKLFYQIRLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)10-9-15(7)11(8-14-10)13(4,5)6/h8H,9H2,1-7H3.
What are the key properties of 3,6-ditert-butyl-1-methyl-2H-pyrazine?
3,6-ditert-butyl-1-methyl-2H-pyrazine has a molecular weight of 208.35 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-methyl-2H-pyrazine is sourced from PubChem (CID 134369011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).