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

C12H13N5 — CID 57396225

IUPAC3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCCC2)n1
InChIInChI=1S/C12H13N5/c13-6-10-8-15-11(7-14)12(17-10)16-9-4-2-1-3-5-9/h8-9H,1-5H2,(H,16,17)
InChIKeyUIEVNVIUAVVTCK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.96
Rot. Bonds2

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

3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57396225) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57396225
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCCC2)n1
InChIInChI=1S/C12H13N5/c13-6-10-8-15-11(7-14)12(17-10)16-9-4-2-1-3-5-9/h8-9H,1-5H2,(H,16,17)
InChIKeyUIEVNVIUAVVTCK-UHFFFAOYSA-N
XLogP1.96
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile (CID 57396225) is 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile is N#Cc1cnc(C#N)c(NC2CCCCC2)n1.
What is the InChIKey of 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is UIEVNVIUAVVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-6-10-8-15-11(7-14)12(17-10)16-9-4-2-1-3-5-9/h8-9H,1-5H2,(H,16,17).
What are the key properties of 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile?
3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).