5-tert-butyl-1,2,3,6-tetrahydropyrazine

C8H16N2 — CID 123423828

IUPAC5-tert-butyl-1,2,3,6-tetrahydropyrazine
SMILESCC(C)(C)C1=NCCNC1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-6-9-4-5-10-7/h9H,4-6H2,1-3H3
InChIKeyJLTVYNBROIEORF-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.08
Rot. Bonds

About 5-tert-butyl-1,2,3,6-tetrahydropyrazine

5-tert-butyl-1,2,3,6-tetrahydropyrazine (PubChem CID 123423828) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-tert-butyl-1,2,3,6-tetrahydropyrazine.

Molecular Properties

Compound Name5-tert-butyl-1,2,3,6-tetrahydropyrazine
PubChem CID123423828
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-tert-butyl-1,2,3,6-tetrahydropyrazine
SMILESCC(C)(C)C1=NCCNC1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-6-9-4-5-10-7/h9H,4-6H2,1-3H3
InChIKeyJLTVYNBROIEORF-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,3,6-tetrahydropyrazine?
The IUPAC name of 5-tert-butyl-1,2,3,6-tetrahydropyrazine (CID 123423828) is 5-tert-butyl-1,2,3,6-tetrahydropyrazine.
What is the SMILES notation for 5-tert-butyl-1,2,3,6-tetrahydropyrazine?
The canonical SMILES for 5-tert-butyl-1,2,3,6-tetrahydropyrazine is CC(C)(C)C1=NCCNC1.
What is the InChIKey of 5-tert-butyl-1,2,3,6-tetrahydropyrazine?
The InChIKey is JLTVYNBROIEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-6-9-4-5-10-7/h9H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,2,3,6-tetrahydropyrazine?
5-tert-butyl-1,2,3,6-tetrahydropyrazine has a molecular weight of 140.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,3,6-tetrahydropyrazine is sourced from PubChem (CID 123423828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).