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

C10H13F4N3O — CID 106293570

IUPAC1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H13F4N3O/c1-2-4-17-5-3-15-7(8(17)18)16-6-10(13,14)9(11)12/h3,5,9H,2,4,6H2,1H3,(H,15,16)
InChIKeyIZNDRYAXIZKARI-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.97
Rot. Bonds6

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

1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (PubChem CID 106293570) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
PubChem CID106293570
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC Name1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H13F4N3O/c1-2-4-17-5-3-15-7(8(17)18)16-6-10(13,14)9(11)12/h3,5,9H,2,4,6H2,1H3,(H,15,16)
InChIKeyIZNDRYAXIZKARI-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (CID 106293570) is 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is CCCn1ccnc(NCC(F)(F)C(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The InChIKey is IZNDRYAXIZKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-2-4-17-5-3-15-7(8(17)18)16-6-10(13,14)9(11)12/h3,5,9H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one has a molecular weight of 267.23 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 106293570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).