3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile

C15H18N4 — CID 56790656

IUPAC3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2
InChIKeyBHRORASGDBLUGR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.67
Rot. Bonds1

About 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile

3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile (PubChem CID 56790656) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile
PubChem CID56790656
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2
InChIKeyBHRORASGDBLUGR-UHFFFAOYSA-N
XLogP2.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile
CID 138807054
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282
4-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-cyanobenzenesulfonamide
CID 97218039
methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362759
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
CID 126993543
3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 154830464
4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide
CID 133471225
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 56708629
2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
CID 133460813

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile (CID 56790656) is 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile?
The InChIKey is BHRORASGDBLUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2.
What are the key properties of 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile?
3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[5.5]undec-9-en-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 56790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).