2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol

C14H24N2O6 — CID 22457939

IUPAC2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
SMILESCCOC(CO)(CO)c1cncc(C(CO)(CO)OCC)n1
InChIInChI=1S/C14H24N2O6/c1-3-21-13(7-17,8-18)11-5-15-6-12(16-11)14(9-19,10-20)22-4-2/h5-6,17-20H,3-4,7-10H2,1-2H3
InChIKeyDHWVXGGQQGWFAE-UHFFFAOYSA-N
MW316.35 g/mol
LogP-1.09
Rot. Bonds10

About 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol

2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol (PubChem CID 22457939) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
PubChem CID22457939
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
SMILESCCOC(CO)(CO)c1cncc(C(CO)(CO)OCC)n1
InChIInChI=1S/C14H24N2O6/c1-3-21-13(7-17,8-18)11-5-15-6-12(16-11)14(9-19,10-20)22-4-2/h5-6,17-20H,3-4,7-10H2,1-2H3
InChIKeyDHWVXGGQQGWFAE-UHFFFAOYSA-N
XLogP-1.09
TPSA125.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol?
The IUPAC name of 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol (CID 22457939) is 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol.
What is the SMILES notation for 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol?
The canonical SMILES for 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol is CCOC(CO)(CO)c1cncc(C(CO)(CO)OCC)n1.
What is the InChIKey of 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol?
The InChIKey is DHWVXGGQQGWFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-3-21-13(7-17,8-18)11-5-15-6-12(16-11)14(9-19,10-20)22-4-2/h5-6,17-20H,3-4,7-10H2,1-2H3.
What are the key properties of 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol?
2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol has a molecular weight of 316.35 g/mol, XLogP of -1.09, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol is sourced from PubChem (CID 22457939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).