3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one

C16H20FN3O — CID 62995019

IUPAC3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C16H20FN3O/c1-11(2)20-9-8-18-15(16(20)21)19-12(3)10-13-4-6-14(17)7-5-13/h4-9,11-12H,10H2,1-3H3,(H,18,19)
InChIKeyVIRWRUXGBIUOOX-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.01
Rot. Bonds5

About 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one

3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62995019) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62995019
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C16H20FN3O/c1-11(2)20-9-8-18-15(16(20)21)19-12(3)10-13-4-6-14(17)7-5-13/h4-9,11-12H,10H2,1-3H3,(H,18,19)
InChIKeyVIRWRUXGBIUOOX-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one (CID 62995019) is 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one is CC(Cc1ccc(F)cc1)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VIRWRUXGBIUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11(2)20-9-8-18-15(16(20)21)19-12(3)10-13-4-6-14(17)7-5-13/h4-9,11-12H,10H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 289.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62995019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).