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

C11H11N5 — CID 57394465

IUPAC3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCC2)n1
InChIInChI=1S/C11H11N5/c12-5-9-7-14-10(6-13)11(16-9)15-8-3-1-2-4-8/h7-8H,1-4H2,(H,15,16)
InChIKeyKDXMNMKNOBVINB-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.57
Rot. Bonds2

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

3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57394465) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57394465
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(NC2CCCC2)n1
InChIInChI=1S/C11H11N5/c12-5-9-7-14-10(6-13)11(16-9)15-8-3-1-2-4-8/h7-8H,1-4H2,(H,15,16)
InChIKeyKDXMNMKNOBVINB-UHFFFAOYSA-N
XLogP1.57
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
5-Aminopyrazine-2-carbonitrile
CID 13925294
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Heptylamino)pyrazine-2,5-dicarbonitrile
CID 57334416
3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-(Cyclohexylamino)pyrazine-2,5-dicarbonitrile
CID 57396225
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(Cycloheptylamino)pyrazine-2,5-dicarbonitrile
CID 57398019
3-(Ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile (CID 57394465) is 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile is N#Cc1cnc(C#N)c(NC2CCCC2)n1.
What is the InChIKey of 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is KDXMNMKNOBVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-5-9-7-14-10(6-13)11(16-9)15-8-3-1-2-4-8/h7-8H,1-4H2,(H,15,16).
What are the key properties of 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile?
3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57394465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).