5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile

C12H14N4O — CID 133491090

IUPAC5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC3(CCOC3)C2)cn1
InChIInChI=1S/C12H14N4O/c13-5-10-6-15-11(7-14-10)16-3-1-12(8-16)2-4-17-9-12/h6-7H,1-4,8-9H2
InChIKeyPLUHBLZDBXUFCN-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.97
Rot. Bonds1

About 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile

5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile (PubChem CID 133491090) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
PubChem CID133491090
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC3(CCOC3)C2)cn1
InChIInChI=1S/C12H14N4O/c13-5-10-6-15-11(7-14-10)16-3-1-12(8-16)2-4-17-9-12/h6-7H,1-4,8-9H2
InChIKeyPLUHBLZDBXUFCN-UHFFFAOYSA-N
XLogP0.97
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile (CID 133491090) is 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC3(CCOC3)C2)cn1.
What is the InChIKey of 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile?
The InChIKey is PLUHBLZDBXUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-5-10-6-15-11(7-14-10)16-3-1-12(8-16)2-4-17-9-12/h6-7H,1-4,8-9H2.
What are the key properties of 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile?
5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133491090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).