1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine

C11H15FN4 — CID 168893817

IUPAC1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1ccnc(F)/c1=N\[H]
InChIInChI=1S/C11H15FN4/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2/b13-10+,14-11+
InChIKeyDBGZGYKDAZSJGZ-IFQMDVHZSA-N
MW222.27 g/mol
LogP1.91
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine

1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine (PubChem CID 168893817) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine
PubChem CID168893817
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1ccnc(F)/c1=N\[H]
InChIInChI=1S/C11H15FN4/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2/b13-10+,14-11+
InChIKeyDBGZGYKDAZSJGZ-IFQMDVHZSA-N
XLogP1.91
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine (CID 168893817) is 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine is [H]/N=C(\C1CCCCC1)n1ccnc(F)/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine?
The InChIKey is DBGZGYKDAZSJGZ-IFQMDVHZSA-N. The full InChI is InChI=1S/C11H15FN4/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2/b13-10+,14-11+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine?
1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine has a molecular weight of 222.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine is sourced from PubChem (CID 168893817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).