3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile

C19H25N5O — CID 143482725

IUPAC3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CC1)CCN(C1CCCCC1)C2=O
InChIInChI=1S/C19H25N5O/c20-14-16-17(22-10-9-21-16)23-11-6-19(7-12-23)8-13-24(18(19)25)15-4-2-1-3-5-15/h9-10,15H,1-8,11-13H2
InChIKeyIZSTZWAHMQOETL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds2

About 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile

3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile (PubChem CID 143482725) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
PubChem CID143482725
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CC1)CCN(C1CCCCC1)C2=O
InChIInChI=1S/C19H25N5O/c20-14-16-17(22-10-9-21-16)23-11-6-19(7-12-23)8-13-24(18(19)25)15-4-2-1-3-5-15/h9-10,15H,1-8,11-13H2
InChIKeyIZSTZWAHMQOETL-UHFFFAOYSA-N
XLogP2.50
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile (CID 143482725) is 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC2(CC1)CCN(C1CCCCC1)C2=O.
What is the InChIKey of 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile?
The InChIKey is IZSTZWAHMQOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-14-16-17(22-10-9-21-16)23-11-6-19(7-12-23)8-13-24(18(19)25)15-4-2-1-3-5-15/h9-10,15H,1-8,11-13H2.
What are the key properties of 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile?
3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 143482725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).