3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one

C5H6FN3O — CID 123273976

IUPAC3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one
SMILESNCc1nc(F)c[nH]c1=O
InChIInChI=1S/C5H6FN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,1,7H2,(H,8,10)
InChIKeySTMOTKDEZRBNOA-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.63
Rot. Bonds1

About 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one

3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one (PubChem CID 123273976) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one
PubChem CID123273976
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one
SMILESNCc1nc(F)c[nH]c1=O
InChIInChI=1S/C5H6FN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,1,7H2,(H,8,10)
InChIKeySTMOTKDEZRBNOA-UHFFFAOYSA-N
XLogP-0.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one (CID 123273976) is 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one is NCc1nc(F)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one?
The InChIKey is STMOTKDEZRBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,1,7H2,(H,8,10).
What are the key properties of 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one?
3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one has a molecular weight of 143.12 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-1H-pyrazin-2-one is sourced from PubChem (CID 123273976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).