2-(1,4-dioxan-2-yl)pyrazine

C8H10N2O2 — CID 67225701

IUPAC2-(1,4-dioxan-2-yl)pyrazine
SMILESc1cnc(C2COCCO2)cn1
InChIInChI=1S/C8H10N2O2/c1-2-10-7(5-9-1)8-6-11-3-4-12-8/h1-2,5,8H,3-4,6H2
InChIKeyPUNSTEVWRHMXFZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.56
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)pyrazine

2-(1,4-dioxan-2-yl)pyrazine (PubChem CID 67225701) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)pyrazine
PubChem CID67225701
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1,4-dioxan-2-yl)pyrazine
SMILESc1cnc(C2COCCO2)cn1
InChIInChI=1S/C8H10N2O2/c1-2-10-7(5-9-1)8-6-11-3-4-12-8/h1-2,5,8H,3-4,6H2
InChIKeyPUNSTEVWRHMXFZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)pyrazine?
The IUPAC name of 2-(1,4-dioxan-2-yl)pyrazine (CID 67225701) is 2-(1,4-dioxan-2-yl)pyrazine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)pyrazine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)pyrazine is c1cnc(C2COCCO2)cn1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)pyrazine?
The InChIKey is PUNSTEVWRHMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-10-7(5-9-1)8-6-11-3-4-12-8/h1-2,5,8H,3-4,6H2.
What are the key properties of 2-(1,4-dioxan-2-yl)pyrazine?
2-(1,4-dioxan-2-yl)pyrazine has a molecular weight of 166.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)pyrazine is sourced from PubChem (CID 67225701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).