2-[(2S)-1,4-dioxan-2-yl]pyrazine

C8H10N2O2 — CID 135043769

IUPAC2-[(2S)-1,4-dioxan-2-yl]pyrazine
SMILESc1cnc([C@H]2COCCO2)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/t8-/m1/s1
InChIKeyPUNSTEVWRHMXFZ-MRVPVSSYSA-N
MW166.18 g/mol
LogP0.56
Rot. Bonds1

About 2-[(2S)-1,4-dioxan-2-yl]pyrazine

2-[(2S)-1,4-dioxan-2-yl]pyrazine (PubChem CID 135043769) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[(2S)-1,4-dioxan-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1,4-dioxan-2-yl]pyrazine
PubChem CID135043769
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-[(2S)-1,4-dioxan-2-yl]pyrazine
SMILESc1cnc([C@H]2COCCO2)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/t8-/m1/s1
InChIKeyPUNSTEVWRHMXFZ-MRVPVSSYSA-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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Related Compounds

2-(1,4-Dioxan-2-yl)pyrazine
CID 67225701
1-(Pyrazin-2-yl)ethane-1,2-diol
CID 14362260
2-(1-Ethoxyethyl)pyrazine
CID 71406239
2-(1-Ethoxyethyl)-6-(trifluoromethyl)pyrazine
CID 170748488
5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
CID 135044773
3-[(2R)-1,4-dioxan-2-yl]-2,5-dimethylpyrazine
CID 162418112
1-Pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216825
2,2-Diethoxy-2-pyrazinyl-1-ethanol
CID 572774
2-Ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22457939
2-Ethoxy-2-[5-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22458061
2-(Oxiran-2-yl)pyrazine
CID 22906673
2-(Propan-2-yloxymethyl)pyrazine
CID 23323031

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,4-dioxan-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1,4-dioxan-2-yl]pyrazine (CID 135043769) is 2-[(2S)-1,4-dioxan-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1,4-dioxan-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1,4-dioxan-2-yl]pyrazine is c1cnc([C@H]2COCCO2)cn1.
What is the InChIKey of 2-[(2S)-1,4-dioxan-2-yl]pyrazine?
The InChIKey is PUNSTEVWRHMXFZ-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of 2-[(2S)-1,4-dioxan-2-yl]pyrazine?
2-[(2S)-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-[(2S)-1,4-dioxan-2-yl]pyrazine is sourced from PubChem (CID 135043769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).