1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane

C14H22N4O — CID 97491861

IUPAC1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCOCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C14H22N4O/c1-2-18-9-10-19-12-14(18)3-7-17(8-4-14)13-11-15-5-6-16-13/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyZWWLQLAKGUWHRO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.17
Rot. Bonds2

About 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane

1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97491861) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97491861
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCOCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C14H22N4O/c1-2-18-9-10-19-12-14(18)3-7-17(8-4-14)13-11-15-5-6-16-13/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyZWWLQLAKGUWHRO-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97491861) is 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane is CCN1CCOCC12CCN(c1cnccn1)CC2.
What is the InChIKey of 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is ZWWLQLAKGUWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18-9-10-19-12-14(18)3-7-17(8-4-14)13-11-15-5-6-16-13/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane?
1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 262.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-pyrazin-2-yl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97491861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).