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

C10H14F3N3O — CID 55174947

IUPAC1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-2-6-16-7-5-15-8(9(16)17)14-4-3-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyDYXOTVKVVONXSG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.02
Rot. Bonds5

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

1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (PubChem CID 55174947) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
PubChem CID55174947
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-2-6-16-7-5-15-8(9(16)17)14-4-3-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyDYXOTVKVVONXSG-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (CID 55174947) is 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is CCCn1ccnc(NCCC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The InChIKey is DYXOTVKVVONXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-6-16-7-5-15-8(9(16)17)14-4-3-10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one has a molecular weight of 249.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 55174947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).