3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile

C14H20N4O — CID 122562610

IUPAC3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOC1CCCCC1
InChIInChI=1S/C14H20N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h8-9,12H,1-7,10H2,(H,17,18)
InChIKeyMNUDCJLVNIDTHV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds6

About 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile

3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile (PubChem CID 122562610) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile
PubChem CID122562610
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCOC1CCCCC1
InChIInChI=1S/C14H20N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h8-9,12H,1-7,10H2,(H,17,18)
InChIKeyMNUDCJLVNIDTHV-UHFFFAOYSA-N
XLogP2.50
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile (CID 122562610) is 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCOC1CCCCC1.
What is the InChIKey of 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile?
The InChIKey is MNUDCJLVNIDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-13-14(18-9-8-16-13)17-7-4-10-19-12-5-2-1-3-6-12/h8-9,12H,1-7,10H2,(H,17,18).
What are the key properties of 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile?
3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyloxypropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 122562610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).