5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile

C12H14N4 — CID 133491304

IUPAC5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC3(CCC3)C2)cn1
InChIInChI=1S/C12H14N4/c13-6-10-7-15-11(8-14-10)16-5-4-12(9-16)2-1-3-12/h7-8H,1-5,9H2
InChIKeyRRHDCPMDOQSVIH-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.73
Rot. Bonds1

About 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile

5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile (PubChem CID 133491304) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
PubChem CID133491304
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC3(CCC3)C2)cn1
InChIInChI=1S/C12H14N4/c13-6-10-7-15-11(8-14-10)16-5-4-12(9-16)2-1-3-12/h7-8H,1-5,9H2
InChIKeyRRHDCPMDOQSVIH-UHFFFAOYSA-N
XLogP1.73
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile (CID 133491304) is 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC3(CCC3)C2)cn1.
What is the InChIKey of 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile?
The InChIKey is RRHDCPMDOQSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-6-10-7-15-11(8-14-10)16-5-4-12(9-16)2-1-3-12/h7-8H,1-5,9H2.
What are the key properties of 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile?
5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133491304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).