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

C12H22N2 — CID 58300108

IUPAC1,6-ditert-butyl-2H-pyrazine
SMILESCC(C)(C)C1=CN=CCN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)10-9-13-7-8-14(10)12(4,5)6/h7,9H,8H2,1-6H3
InChIKeyJCFZXVQJSXJSKU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.06
Rot. Bonds

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

1,6-ditert-butyl-2H-pyrazine (PubChem CID 58300108) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,6-ditert-butyl-2H-pyrazine.

Molecular Properties

Compound Name1,6-ditert-butyl-2H-pyrazine
PubChem CID58300108
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,6-ditert-butyl-2H-pyrazine
SMILESCC(C)(C)C1=CN=CCN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)10-9-13-7-8-14(10)12(4,5)6/h7,9H,8H2,1-6H3
InChIKeyJCFZXVQJSXJSKU-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-methyl-2H-pyrazine
CID 53798884
(5Z)-1,7,7-trimethyl-8-methylidene-2H-1,4-diazocine
CID 57786279
1,5,5-trimethyl-6-methylidene-2H-pyrazine
CID 57786333
5-Tert-butyl-1-methyl-2-methylidenepyrazine
CID 59549203
5-Tert-butyl-2-methylidene-1-propan-2-ylpyrazine
CID 59802694
6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium
CID 121452111
1,1,6-triethyl-2H-pyrazin-1-ium
CID 122697242
N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimine
CID 126724047
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 130346454
N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine
CID 130378567
(Z)-N-tert-butyl-N,3,3-trimethyl-2-(methylideneamino)but-1-en-1-amine
CID 137465366
1,6-diethyl-2H-pyrazine
CID 150072318

Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-2H-pyrazine?
The IUPAC name of 1,6-ditert-butyl-2H-pyrazine (CID 58300108) is 1,6-ditert-butyl-2H-pyrazine.
What is the SMILES notation for 1,6-ditert-butyl-2H-pyrazine?
The canonical SMILES for 1,6-ditert-butyl-2H-pyrazine is CC(C)(C)C1=CN=CCN1C(C)(C)C.
What is the InChIKey of 1,6-ditert-butyl-2H-pyrazine?
The InChIKey is JCFZXVQJSXJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)10-9-13-7-8-14(10)12(4,5)6/h7,9H,8H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-2H-pyrazine?
1,6-ditert-butyl-2H-pyrazine has a molecular weight of 194.32 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-2H-pyrazine is sourced from PubChem (CID 58300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).