1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol

C11H18N2O — CID 586729

IUPAC1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol
SMILESCc1ncc(C(O)CC(C)C)nc1C
InChIInChI=1S/C11H18N2O/c1-7(2)5-11(14)10-6-12-8(3)9(4)13-10/h6-7,11,14H,5H2,1-4H3
InChIKeyLOIBZCWECZQZHU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.17
Rot. Bonds3

About 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol

1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol (PubChem CID 586729) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol
PubChem CID586729
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol
SMILESCc1ncc(C(O)CC(C)C)nc1C
InChIInChI=1S/C11H18N2O/c1-7(2)5-11(14)10-6-12-8(3)9(4)13-10/h6-7,11,14H,5H2,1-4H3
InChIKeyLOIBZCWECZQZHU-UHFFFAOYSA-N
XLogP2.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Hydroxy-1-methylethyl)-5-(1-methylethyl)pyrazine
CID 11535672
1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
2-Hydroxymethyl-3-(3-methylbutyl)-5-methylpyrazine
CID 60145016
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
1-Methoxy-isobutyl pyrazine
CID 54145268
2,5-Bis-(tetrahydroxybutyl)-pyrazine
CID 87151883
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733028
4,4,4-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733030
6,6,6-Trifluoro-5-methyl-2-(5-propan-2-ylpyrazin-2-yl)hexan-2-ol
CID 155017901
1-(3-Fluoropyrazin-2-yl)propan-1-ol
CID 156558715
(1S)-4,4-dimethyl-1-[6-(trifluoromethyl)pyrazin-2-yl]pentan-1-ol;sulfane
CID 157696064

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol (CID 586729) is 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol is Cc1ncc(C(O)CC(C)C)nc1C.
What is the InChIKey of 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol?
The InChIKey is LOIBZCWECZQZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)5-11(14)10-6-12-8(3)9(4)13-10/h6-7,11,14H,5H2,1-4H3.
What are the key properties of 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol?
1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrazin-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 586729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).