2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine

C11H16N2O2 — CID 134502801

IUPAC2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine
SMILESCCc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C11H16N2O2/c1-4-9-7(2)13-10(8(3)12-9)11-14-5-6-15-11/h11H,4-6H2,1-3H3
InChIKeyBIFFFDCPZVKANO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds2

About 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine

2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine (PubChem CID 134502801) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine
PubChem CID134502801
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine
SMILESCCc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C11H16N2O2/c1-4-9-7(2)13-10(8(3)12-9)11-14-5-6-15-11/h11H,4-6H2,1-3H3
InChIKeyBIFFFDCPZVKANO-UHFFFAOYSA-N
XLogP1.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Dioxolan-2-yl)-3,5,6-trimethylpyrazine
CID 122684100
(5-Ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate
CID 155366107
2-(Ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966141
CID 174104976
CID 174104976

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine (CID 134502801) is 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine is CCc1nc(C)c(C2OCCO2)nc1C.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine?
The InChIKey is BIFFFDCPZVKANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-9-7(2)13-10(8(3)12-9)11-14-5-6-15-11/h11H,4-6H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine?
2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine has a molecular weight of 208.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine is sourced from PubChem (CID 134502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).