5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine

C10H14N2O2 — CID 156770960

IUPAC5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine
SMILESCc1ncc(C2COCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3
InChIKeyXDWZOLZLWILHME-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.18
Rot. Bonds1

About 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine

5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine (PubChem CID 156770960) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine
PubChem CID156770960
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine
SMILESCc1ncc(C2COCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3
InChIKeyXDWZOLZLWILHME-UHFFFAOYSA-N
XLogP1.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine?
The IUPAC name of 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine (CID 156770960) is 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine.
What is the SMILES notation for 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine?
The canonical SMILES for 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine is Cc1ncc(C2COCCO2)nc1C.
What is the InChIKey of 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine?
The InChIKey is XDWZOLZLWILHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-8(2)12-9(5-11-7)10-6-13-3-4-14-10/h5,10H,3-4,6H2,1-2H3.
What are the key properties of 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine?
5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine has a molecular weight of 194.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-yl)-2,3-dimethylpyrazine is sourced from PubChem (CID 156770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).