1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one

C8H9F4N3O — CID 106293657

IUPAC1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESCn1ccnc(NCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C8H9F4N3O/c1-15-3-2-13-5(6(15)16)14-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyFMSKMFLUXTUHJN-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.09
Rot. Bonds4

About 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one

1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (PubChem CID 106293657) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
PubChem CID106293657
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESCn1ccnc(NCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C8H9F4N3O/c1-15-3-2-13-5(6(15)16)14-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyFMSKMFLUXTUHJN-UHFFFAOYSA-N
XLogP1.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (CID 106293657) is 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is Cn1ccnc(NCC(F)(F)C(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The InChIKey is FMSKMFLUXTUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-15-3-2-13-5(6(15)16)14-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one has a molecular weight of 239.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 106293657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).