1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol

C11H18N2O4 — CID 113404113

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
SMILESCCOC(C)C(O)c1ncc(OC)nc1OC
InChIInChI=1S/C11H18N2O4/c1-5-17-7(2)10(14)9-11(16-4)13-8(15-3)6-12-9/h6-7,10,14H,5H2,1-4H3
InChIKeyCWYYHBRYXZLURA-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.95
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol

1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol (PubChem CID 113404113) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
PubChem CID113404113
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
SMILESCCOC(C)C(O)c1ncc(OC)nc1OC
InChIInChI=1S/C11H18N2O4/c1-5-17-7(2)10(14)9-11(16-4)13-8(15-3)6-12-9/h6-7,10,14H,5H2,1-4H3
InChIKeyCWYYHBRYXZLURA-UHFFFAOYSA-N
XLogP0.95
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 105030945
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol (CID 113404113) is 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol is CCOC(C)C(O)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol?
The InChIKey is CWYYHBRYXZLURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-17-7(2)10(14)9-11(16-4)13-8(15-3)6-12-9/h6-7,10,14H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol?
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol has a molecular weight of 242.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol is sourced from PubChem (CID 113404113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).