3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol

C11H18N2O3 — CID 103027678

IUPAC3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol
SMILESCOc1nccnc1C(O)CC(C)(C)OC
InChIInChI=1S/C11H18N2O3/c1-11(2,16-4)7-8(14)9-10(15-3)13-6-5-12-9/h5-6,8,14H,7H2,1-4H3
InChIKeyWIAABCVYJLHFEL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.33
Rot. Bonds5

About 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol

3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol (PubChem CID 103027678) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol
PubChem CID103027678
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol
SMILESCOc1nccnc1C(O)CC(C)(C)OC
InChIInChI=1S/C11H18N2O3/c1-11(2,16-4)7-8(14)9-10(15-3)13-6-5-12-9/h5-6,8,14H,7H2,1-4H3
InChIKeyWIAABCVYJLHFEL-UHFFFAOYSA-N
XLogP1.33
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147418
3-(2,2-Difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 104515084
4,4,4-Trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
CID 104515198
(4,4-Difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 105123424

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol (CID 103027678) is 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol is COc1nccnc1C(O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol?
The InChIKey is WIAABCVYJLHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,16-4)7-8(14)9-10(15-3)13-6-5-12-9/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol?
3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 103027678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).