5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine

C18H32N2 — CID 157446765

IUPAC5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine
SMILESCC(C)(C)Cc1ncc(C(C)(C)C)nc1CC(C)(C)C
InChIInChI=1S/C18H32N2/c1-16(2,3)10-13-14(11-17(4,5)6)20-15(12-19-13)18(7,8)9/h12H,10-11H2,1-9H3
InChIKeyXTDXXLNRABDDIO-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.95
Rot. Bonds2

About 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine

5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine (PubChem CID 157446765) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine.

Molecular Properties

Compound Name5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine
PubChem CID157446765
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine
SMILESCC(C)(C)Cc1ncc(C(C)(C)C)nc1CC(C)(C)C
InChIInChI=1S/C18H32N2/c1-16(2,3)10-13-14(11-17(4,5)6)20-15(12-19-13)18(7,8)9/h12H,10-11H2,1-9H3
InChIKeyXTDXXLNRABDDIO-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine?
The IUPAC name of 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine (CID 157446765) is 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine.
What is the SMILES notation for 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine?
The canonical SMILES for 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine is CC(C)(C)Cc1ncc(C(C)(C)C)nc1CC(C)(C)C.
What is the InChIKey of 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine?
The InChIKey is XTDXXLNRABDDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-16(2,3)10-13-14(11-17(4,5)6)20-15(12-19-13)18(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine?
5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine has a molecular weight of 276.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-bis(2,2-dimethylpropyl)pyrazine is sourced from PubChem (CID 157446765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).