2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine

C10H14N2O2 — CID 122684100

IUPAC2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-9(8(3)11-6)10-13-4-5-14-10/h10H,4-5H2,1-3H3
InChIKeyBNPHWBONGYEJMM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds1

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

2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine (PubChem CID 122684100) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine
PubChem CID122684100
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-9(8(3)11-6)10-13-4-5-14-10/h10H,4-5H2,1-3H3
InChIKeyBNPHWBONGYEJMM-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethoxymethyl]pyrazine
CID 117879067
N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 118266875
N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 118266877
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
2-(1,3-Dioxolan-2-yl)-5-ethyl-3,6-dimethylpyrazine
CID 134502801
2,5-Bis(ethoxymethyl)-3,6-dimethylpyrazine
CID 141337777
Ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154455
2-(Bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
CID 145226180
2-(Methoxymethyl)-3,5,6-trimethylpyrazine
CID 145226187
CID 174104976
CID 174104976
2,5-Bis(methoxymethyl)-3,6-dimethylpyrazine
CID 174690697

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine (CID 122684100) is 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine is Cc1nc(C)c(C2OCCO2)nc1C.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine?
The InChIKey is BNPHWBONGYEJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(2)12-9(8(3)11-6)10-13-4-5-14-10/h10H,4-5H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine?
2-(1,3-dioxolan-2-yl)-3,5,6-trimethylpyrazine has a molecular weight of 194.23 g/mol, XLogP of 1.45, 1 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)-3,5,6-trimethylpyrazine is sourced from PubChem (CID 122684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).