1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol

C14H24N2O2 — CID 141337770

IUPAC1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol
SMILESCCCC(O)c1nc(C)c(C(O)CCC)nc1C
InChIInChI=1S/C14H24N2O2/c1-5-7-11(17)13-9(3)16-14(10(4)15-13)12(18)8-6-2/h11-12,17-18H,5-8H2,1-4H3
InChIKeyLPDPTBCZDFYGBT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.76
Rot. Bonds6

About 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol

1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol (PubChem CID 141337770) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol
PubChem CID141337770
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol
SMILESCCCC(O)c1nc(C)c(C(O)CCC)nc1C
InChIInChI=1S/C14H24N2O2/c1-5-7-11(17)13-9(3)16-14(10(4)15-13)12(18)8-6-2/h11-12,17-18H,5-8H2,1-4H3
InChIKeyLPDPTBCZDFYGBT-UHFFFAOYSA-N
XLogP2.76
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol?
The IUPAC name of 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol (CID 141337770) is 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol?
The canonical SMILES for 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol is CCCC(O)c1nc(C)c(C(O)CCC)nc1C.
What is the InChIKey of 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol?
The InChIKey is LPDPTBCZDFYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-7-11(17)13-9(3)16-14(10(4)15-13)12(18)8-6-2/h11-12,17-18H,5-8H2,1-4H3.
What are the key properties of 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol?
1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxybutyl)-3,6-dimethylpyrazin-2-yl]butan-1-ol is sourced from PubChem (CID 141337770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).