1-tert-butyl-6-ethyl-2H-pyrazine

C10H18N2 — CID 155404022

IUPAC1-tert-butyl-6-ethyl-2H-pyrazine
SMILESCCC1=CN=CCN1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-9-8-11-6-7-12(9)10(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyXHZJTYLYGIDJCB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds1

About 1-tert-butyl-6-ethyl-2H-pyrazine

1-tert-butyl-6-ethyl-2H-pyrazine (PubChem CID 155404022) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-tert-butyl-6-ethyl-2H-pyrazine.

Molecular Properties

Compound Name1-tert-butyl-6-ethyl-2H-pyrazine
PubChem CID155404022
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-tert-butyl-6-ethyl-2H-pyrazine
SMILESCCC1=CN=CCN1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-5-9-8-11-6-7-12(9)10(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyXHZJTYLYGIDJCB-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-methyl-2H-pyrazine
CID 53798884
1,2-dimethyl-5-propan-2-yl-2H-pyrazine
CID 54204493
1,5,5-trimethyl-6-methylidene-2H-pyrazine
CID 57786333
1,6-ditert-butyl-2H-pyrazine
CID 58300108
5-Tert-butyl-1-methyl-2-methylidenepyrazine
CID 59549203
5-Tert-butyl-2-methylidene-1-propan-2-ylpyrazine
CID 59802694
1,1-dimethyl-5-propyl-2H-pyrazin-1-ium
CID 117859484
6-ethyl-1,1-dimethyl-2H-pyrazin-1-ium
CID 121452111
1,1,6-triethyl-2H-pyrazin-1-ium
CID 122697242
N-ethyl-N-methyl-3,4-dihydropyridin-5-amine
CID 126549665
2-methylbut-1-ene;5-methyl-1-[(Z)-prop-1-enyl]-2H-pyrazine
CID 144221463
1,6-diethyl-2H-pyrazine
CID 150072318

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-ethyl-2H-pyrazine?
The IUPAC name of 1-tert-butyl-6-ethyl-2H-pyrazine (CID 155404022) is 1-tert-butyl-6-ethyl-2H-pyrazine.
What is the SMILES notation for 1-tert-butyl-6-ethyl-2H-pyrazine?
The canonical SMILES for 1-tert-butyl-6-ethyl-2H-pyrazine is CCC1=CN=CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-ethyl-2H-pyrazine?
The InChIKey is XHZJTYLYGIDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9-8-11-6-7-12(9)10(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-tert-butyl-6-ethyl-2H-pyrazine?
1-tert-butyl-6-ethyl-2H-pyrazine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-ethyl-2H-pyrazine is sourced from PubChem (CID 155404022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).