1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol

C12H20N2O4 — CID 116711920

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOc1cnc(C(O)C(OC)C(C)C)c(OC)n1
InChIInChI=1S/C12H20N2O4/c1-7(2)11(17-4)10(15)9-12(18-5)14-8(16-3)6-13-9/h6-7,10-11,15H,1-5H3
InChIKeyMWLKOOLTRSLAJN-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.20
Rot. Bonds6

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

1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 116711920) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
PubChem CID116711920
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
SMILESCOc1cnc(C(O)C(OC)C(C)C)c(OC)n1
InChIInChI=1S/C12H20N2O4/c1-7(2)11(17-4)10(15)9-12(18-5)14-8(16-3)6-13-9/h6-7,10-11,15H,1-5H3
InChIKeyMWLKOOLTRSLAJN-UHFFFAOYSA-N
XLogP1.20
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753341

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol (CID 116711920) is 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol is COc1cnc(C(O)C(OC)C(C)C)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is MWLKOOLTRSLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)11(17-4)10(15)9-12(18-5)14-8(16-3)6-13-9/h6-7,10-11,15H,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol?
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 1.20, 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-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 116711920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).