5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol

C14H21N3O2 — CID 139009395

IUPAC5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol
SMILESCC(C)COc1cncc(N2CC(O)C3(CC3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-19-13-6-15-5-12(16-13)17-7-11(18)14(9-17)3-4-14/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyJCXXXYUONXEAEH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds4

About 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol

5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol (PubChem CID 139009395) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol
PubChem CID139009395
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol
SMILESCC(C)COc1cncc(N2CC(O)C3(CC3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-19-13-6-15-5-12(16-13)17-7-11(18)14(9-17)3-4-14/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyJCXXXYUONXEAEH-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol (CID 139009395) is 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol is CC(C)COc1cncc(N2CC(O)C3(CC3)C2)n1.
What is the InChIKey of 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is JCXXXYUONXEAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)8-19-13-6-15-5-12(16-13)17-7-11(18)14(9-17)3-4-14/h5-6,10-11,18H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol?
5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 263.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 139009395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).