6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile

C21H23N5 — CID 126838530

IUPAC6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CC3CCC2C2CN(Cc4ccccc4)CC32)n1
InChIInChI=1S/C21H23N5/c22-8-17-9-23-10-21(24-17)26-12-16-6-7-20(26)19-14-25(13-18(16)19)11-15-4-2-1-3-5-15/h1-5,9-10,16,18-20H,6-7,11-14H2
InChIKeyGURSEAFPJAVQIY-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.70
Rot. Bonds3

About 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile

6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile (PubChem CID 126838530) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile
PubChem CID126838530
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CC3CCC2C2CN(Cc4ccccc4)CC32)n1
InChIInChI=1S/C21H23N5/c22-8-17-9-23-10-21(24-17)26-12-16-6-7-20(26)19-14-25(13-18(16)19)11-15-4-2-1-3-5-15/h1-5,9-10,16,18-20H,6-7,11-14H2
InChIKeyGURSEAFPJAVQIY-UHFFFAOYSA-N
XLogP2.70
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile?
The IUPAC name of 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile (CID 126838530) is 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile is N#Cc1cncc(N2CC3CCC2C2CN(Cc4ccccc4)CC32)n1.
What is the InChIKey of 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile?
The InChIKey is GURSEAFPJAVQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c22-8-17-9-23-10-21(24-17)26-12-16-6-7-20(26)19-14-25(13-18(16)19)11-15-4-2-1-3-5-15/h1-5,9-10,16,18-20H,6-7,11-14H2.
What are the key properties of 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile?
6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile has a molecular weight of 345.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 126838530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).