1,2,3,6-tetrahydropyrazine

C4H8N2 — CID 5233127

IUPAC1,2,3,6-tetrahydropyrazine
SMILESC1=NCCNC1
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2
InChIKeyIOLQWFQLCNMKAZ-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.34
Rot. Bonds

About 1,2,3,6-tetrahydropyrazine

1,2,3,6-tetrahydropyrazine (PubChem CID 5233127) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrazine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrazine
PubChem CID5233127
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name1,2,3,6-tetrahydropyrazine
SMILESC1=NCCNC1
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2
InChIKeyIOLQWFQLCNMKAZ-UHFFFAOYSA-N
XLogP-0.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrazine?
The IUPAC name of 1,2,3,6-tetrahydropyrazine (CID 5233127) is 1,2,3,6-tetrahydropyrazine.
What is the SMILES notation for 1,2,3,6-tetrahydropyrazine?
The canonical SMILES for 1,2,3,6-tetrahydropyrazine is C1=NCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyrazine?
The InChIKey is IOLQWFQLCNMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2.
What are the key properties of 1,2,3,6-tetrahydropyrazine?
1,2,3,6-tetrahydropyrazine has a molecular weight of 84.12 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyrazine is sourced from PubChem (CID 5233127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).