3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile

C13H15N5 — CID 57398019

IUPAC3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCCCC2)n1
InChIInChI=1S/C13H15N5/c14-7-11-9-16-12(8-15)13(18-11)17-10-5-3-1-2-4-6-10/h9-10H,1-6H2,(H,17,18)
InChIKeyIXNRKWKFXURLKN-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.35
Rot. Bonds2

About 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile

3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57398019) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57398019
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCCCC2)n1
InChIInChI=1S/C13H15N5/c14-7-11-9-16-12(8-15)13(18-11)17-10-5-3-1-2-4-6-10/h9-10H,1-6H2,(H,17,18)
InChIKeyIXNRKWKFXURLKN-UHFFFAOYSA-N
XLogP2.35
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile (CID 57398019) is 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile is N#Cc1cnc(C#N)c(NC2CCCCCC2)n1.
What is the InChIKey of 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is IXNRKWKFXURLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-7-11-9-16-12(8-15)13(18-11)17-10-5-3-1-2-4-6-10/h9-10H,1-6H2,(H,17,18).
What are the key properties of 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile?
3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 241.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57398019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).