3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile

C13H19N5O — CID 55251113

IUPAC3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCOC1CCC(N)CC1
InChIInChI=1S/C13H19N5O/c14-9-12-13(17-6-5-16-12)18-7-8-19-11-3-1-10(15)2-4-11/h5-6,10-11H,1-4,7-8,15H2,(H,17,18)
InChIKeyGQOAGOSFGACQTA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.05
Rot. Bonds5

About 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile

3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile (PubChem CID 55251113) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile
PubChem CID55251113
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCOC1CCC(N)CC1
InChIInChI=1S/C13H19N5O/c14-9-12-13(17-6-5-16-12)18-7-8-19-11-3-1-10(15)2-4-11/h5-6,10-11H,1-4,7-8,15H2,(H,17,18)
InChIKeyGQOAGOSFGACQTA-UHFFFAOYSA-N
XLogP1.05
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile (CID 55251113) is 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCOC1CCC(N)CC1.
What is the InChIKey of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile?
The InChIKey is GQOAGOSFGACQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-9-12-13(17-6-5-16-12)18-7-8-19-11-3-1-10(15)2-4-11/h5-6,10-11H,1-4,7-8,15H2,(H,17,18).
What are the key properties of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile?
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55251113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).