3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine

C12H19FN4 — CID 168893994

IUPAC3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1ccnc(F)/c1=N\[H]
InChIInChI=1S/C12H19FN4/c1-3-5-9(6-4-2)11(14)17-8-7-16-10(13)12(17)15/h7-9,14-15H,3-6H2,1-2H3/b14-11+,15-12+
InChIKeyVIOXEASUMQFTFU-LCPPQYOVSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds5

About 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine

3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine (PubChem CID 168893994) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine
PubChem CID168893994
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1ccnc(F)/c1=N\[H]
InChIInChI=1S/C12H19FN4/c1-3-5-9(6-4-2)11(14)17-8-7-16-10(13)12(17)15/h7-9,14-15H,3-6H2,1-2H3/b14-11+,15-12+
InChIKeyVIOXEASUMQFTFU-LCPPQYOVSA-N
XLogP2.54
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.54
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-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine?
The IUPAC name of 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine (CID 168893994) is 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine.
What is the SMILES notation for 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine?
The canonical SMILES for 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine is [H]/N=C(\C(CCC)CCC)n1ccnc(F)/c1=N\[H].
What is the InChIKey of 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine?
The InChIKey is VIOXEASUMQFTFU-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H19FN4/c1-3-5-9(6-4-2)11(14)17-8-7-16-10(13)12(17)15/h7-9,14-15H,3-6H2,1-2H3/b14-11+,15-12+.
What are the key properties of 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine?
3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine has a molecular weight of 238.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine is sourced from PubChem (CID 168893994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).