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

C13H22N2O3 — CID 114270663

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
SMILESCOc1cnc(C(O)C(C)C(C)(C)C)c(OC)n1
InChIInChI=1S/C13H22N2O3/c1-8(13(2,3)4)11(16)10-12(18-6)15-9(17-5)7-14-10/h7-8,11,16H,1-6H3
InChIKeyDSCCQQLTPSIRSG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.21
Rot. Bonds4

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

1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol (PubChem CID 114270663) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
PubChem CID114270663
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
SMILESCOc1cnc(C(O)C(C)C(C)(C)C)c(OC)n1
InChIInChI=1S/C13H22N2O3/c1-8(13(2,3)4)11(16)10-12(18-6)15-9(17-5)7-14-10/h7-8,11,16H,1-6H3
InChIKeyDSCCQQLTPSIRSG-UHFFFAOYSA-N
XLogP2.21
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
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)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
(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
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753341
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol (CID 114270663) is 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol is COc1cnc(C(O)C(C)C(C)(C)C)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol?
The InChIKey is DSCCQQLTPSIRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(13(2,3)4)11(16)10-12(18-6)15-9(17-5)7-14-10/h7-8,11,16H,1-6H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol?
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 114270663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).