3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane

C13H19N3O — CID 70942546

IUPAC3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1CC2(CCN(c3cnccn3)CC2)CO1
InChIInChI=1S/C13H19N3O/c1-11-8-13(10-17-11)2-6-16(7-3-13)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyPJCFRMPHPJYAIE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds1

About 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane

3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 70942546) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane
PubChem CID70942546
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1CC2(CCN(c3cnccn3)CC2)CO1
InChIInChI=1S/C13H19N3O/c1-11-8-13(10-17-11)2-6-16(7-3-13)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyPJCFRMPHPJYAIE-UHFFFAOYSA-N
XLogP1.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane (CID 70942546) is 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane is CC1CC2(CCN(c3cnccn3)CC2)CO1.
What is the InChIKey of 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is PJCFRMPHPJYAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-8-13(10-17-11)2-6-16(7-3-13)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane?
3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 233.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 70942546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).