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

C14H19N5 — CID 57399967

IUPAC3-(octylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCCCCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C14H19N5/c1-2-3-4-5-6-7-8-17-14-13(10-16)18-11-12(9-15)19-14/h11H,2-8H2,1H3,(H,17,19)
InChIKeyBRSVMMUKGMVYNR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.99
Rot. Bonds8

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

3-(octylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57399967) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(octylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(octylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57399967
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-(octylamino)pyrazine-2,5-dicarbonitrile
SMILESCCCCCCCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C14H19N5/c1-2-3-4-5-6-7-8-17-14-13(10-16)18-11-12(9-15)19-14/h11H,2-8H2,1H3,(H,17,19)
InChIKeyBRSVMMUKGMVYNR-UHFFFAOYSA-N
XLogP2.99
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
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-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
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-(octylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(octylamino)pyrazine-2,5-dicarbonitrile (CID 57399967) is 3-(octylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(octylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(octylamino)pyrazine-2,5-dicarbonitrile is CCCCCCCCNc1nc(C#N)cnc1C#N.
What is the InChIKey of 3-(octylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is BRSVMMUKGMVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-3-4-5-6-7-8-17-14-13(10-16)18-11-12(9-15)19-14/h11H,2-8H2,1H3,(H,17,19).
What are the key properties of 3-(octylamino)pyrazine-2,5-dicarbonitrile?
3-(octylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57399967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).