6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile

C12H13IN4 — CID 178073234

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile
SMILESN#Cc1nc(N2CCC3(CC2)CC3)cnc1I
InChIInChI=1S/C12H13IN4/c13-11-9(7-14)16-10(8-15-11)17-5-3-12(1-2-12)4-6-17/h8H,1-6H2
InChIKeyCDEUTEDLMWGSCW-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.33
Rot. Bonds1

About 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile

6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile (PubChem CID 178073234) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile
PubChem CID178073234
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile
SMILESN#Cc1nc(N2CCC3(CC2)CC3)cnc1I
InChIInChI=1S/C12H13IN4/c13-11-9(7-14)16-10(8-15-11)17-5-3-12(1-2-12)4-6-17/h8H,1-6H2
InChIKeyCDEUTEDLMWGSCW-UHFFFAOYSA-N
XLogP2.33
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine
CID 178072701
5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304
8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 66467792
3-(cyclopropylamino)-5-piperidin-1-ylpyrazine-2-carbonitrile
CID 144858009
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
CID 66233219
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
CID 66466419
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
3-(2,3-dichlorophenyl)sulfanyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carbonitrile
CID 166963314
5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
CID 122057284
6-(4-butyl-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)sulfanylpyrazine-2-carbonitrile
CID 139309776
5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 178072549

Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile?
The IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile (CID 178073234) is 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile.
What is the SMILES notation for 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile?
The canonical SMILES for 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile is N#Cc1nc(N2CCC3(CC2)CC3)cnc1I.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile?
The InChIKey is CDEUTEDLMWGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c13-11-9(7-14)16-10(8-15-11)17-5-3-12(1-2-12)4-6-17/h8H,1-6H2.
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile?
6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile has a molecular weight of 340.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile is sourced from PubChem (CID 178073234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).