5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one

C5H7FN4O — CID 155447173

IUPAC5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one
SMILESCn1cc(F)c(NN)nc1=O
InChIInChI=1S/C5H7FN4O/c1-10-2-3(6)4(9-7)8-5(10)11/h2H,7H2,1H3,(H,8,9,11)
InChIKeyIAGJJCBZURSDBQ-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.80
Rot. Bonds1

About 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one

5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one (PubChem CID 155447173) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one
PubChem CID155447173
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one
SMILESCn1cc(F)c(NN)nc1=O
InChIInChI=1S/C5H7FN4O/c1-10-2-3(6)4(9-7)8-5(10)11/h2H,7H2,1H3,(H,8,9,11)
InChIKeyIAGJJCBZURSDBQ-UHFFFAOYSA-N
XLogP-0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one?
The IUPAC name of 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one (CID 155447173) is 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one.
What is the SMILES notation for 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one?
The canonical SMILES for 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one is Cn1cc(F)c(NN)nc1=O.
What is the InChIKey of 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one?
The InChIKey is IAGJJCBZURSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c1-10-2-3(6)4(9-7)8-5(10)11/h2H,7H2,1H3,(H,8,9,11).
What are the key properties of 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one?
5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one has a molecular weight of 158.14 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydrazinyl-1-methylpyrimidin-2-one is sourced from PubChem (CID 155447173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).