3-(cyclooctylamino)pyrazine-2-carbonitrile

C13H18N4 — CID 62671623

IUPAC3-(cyclooctylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCCCCCC1
InChIInChI=1S/C13H18N4/c14-10-12-13(16-9-8-15-12)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17)
InChIKeyKRUPBJMYVFXHSL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds2

About 3-(cyclooctylamino)pyrazine-2-carbonitrile

3-(cyclooctylamino)pyrazine-2-carbonitrile (PubChem CID 62671623) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(cyclooctylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyclooctylamino)pyrazine-2-carbonitrile
PubChem CID62671623
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(cyclooctylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCCCCCC1
InChIInChI=1S/C13H18N4/c14-10-12-13(16-9-8-15-12)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17)
InChIKeyKRUPBJMYVFXHSL-UHFFFAOYSA-N
XLogP2.87
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(cyclooctylamino)pyrazine-2-carbonitrile (CID 62671623) is 3-(cyclooctylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(cyclooctylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(cyclooctylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CCCCCCC1.
What is the InChIKey of 3-(cyclooctylamino)pyrazine-2-carbonitrile?
The InChIKey is KRUPBJMYVFXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-10-12-13(16-9-8-15-12)17-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,16,17).
What are the key properties of 3-(cyclooctylamino)pyrazine-2-carbonitrile?
3-(cyclooctylamino)pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62671623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).