3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine

C11H14ClFN4 — CID 134299753

IUPAC3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1ccnc(Cl)/c1=N\[H])C1(F)CCCCC1
InChIInChI=1S/C11H14ClFN4/c12-8-9(14)17(7-6-16-8)10(15)11(13)4-2-1-3-5-11/h6-7,14-15H,1-5H2/b14-9+,15-10+
InChIKeyQKGWDXFWNCRFIO-AOEKMSOUSA-N
MW256.71 g/mol
LogP2.51
Rot. Bonds1

About 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine

3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine (PubChem CID 134299753) has the molecular formula C11H14ClFN4 and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine
PubChem CID134299753
Molecular FormulaC11H14ClFN4
Molecular Weight256.71 g/mol
Exact Mass256.09
IUPAC Name3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(/n1ccnc(Cl)/c1=N\[H])C1(F)CCCCC1
InChIInChI=1S/C11H14ClFN4/c12-8-9(14)17(7-6-16-8)10(15)11(13)4-2-1-3-5-11/h6-7,14-15H,1-5H2/b14-9+,15-10+
InChIKeyQKGWDXFWNCRFIO-AOEKMSOUSA-N
XLogP2.51
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.51
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 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The IUPAC name of 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine (CID 134299753) is 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine.
What is the SMILES notation for 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The canonical SMILES for 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine is [H]/N=C(/n1ccnc(Cl)/c1=N\[H])C1(F)CCCCC1.
What is the InChIKey of 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The InChIKey is QKGWDXFWNCRFIO-AOEKMSOUSA-N. The full InChI is InChI=1S/C11H14ClFN4/c12-8-9(14)17(7-6-16-8)10(15)11(13)4-2-1-3-5-11/h6-7,14-15H,1-5H2/b14-9+,15-10+.
What are the key properties of 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine?
3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine has a molecular weight of 256.71 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-fluorocyclohexanecarboximidoyl)pyrazin-2-imine is sourced from PubChem (CID 134299753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).