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

C14H16FN3O — CID 62995021

IUPAC3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1nccn(C)c1=O
InChIInChI=1S/C14H16FN3O/c1-10(9-11-3-5-12(15)6-4-11)17-13-14(19)18(2)8-7-16-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyDLTXIWHXXXFGIC-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.96
Rot. Bonds4

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

3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one (PubChem CID 62995021) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one
PubChem CID62995021
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one
SMILESCC(Cc1ccc(F)cc1)Nc1nccn(C)c1=O
InChIInChI=1S/C14H16FN3O/c1-10(9-11-3-5-12(15)6-4-11)17-13-14(19)18(2)8-7-16-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyDLTXIWHXXXFGIC-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.96
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-methylpyrazin-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one (CID 62995021) is 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one is CC(Cc1ccc(F)cc1)Nc1nccn(C)c1=O.
What is the InChIKey of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one?
The InChIKey is DLTXIWHXXXFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(9-11-3-5-12(15)6-4-11)17-13-14(19)18(2)8-7-16-13/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one?
3-[1-(4-fluorophenyl)propan-2-ylamino]-1-methylpyrazin-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.96, 4 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-methylpyrazin-2-one is sourced from PubChem (CID 62995021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).