4-fluoro-5-propan-2-yl-1H-pyridazin-6-one

C7H9FN2O — CID 172537089

IUPAC4-fluoro-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1c(F)cn[nH]c1=O
InChIInChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-10-7(6)11/h3-4H,1-2H3,(H,10,11)
InChIKeyIYXOAFCBFXGYPA-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.03
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one

4-fluoro-5-propan-2-yl-1H-pyridazin-6-one (PubChem CID 172537089) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1H-pyridazin-6-one
PubChem CID172537089
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-fluoro-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1c(F)cn[nH]c1=O
InChIInChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-10-7(6)11/h3-4H,1-2H3,(H,10,11)
InChIKeyIYXOAFCBFXGYPA-UHFFFAOYSA-N
XLogP1.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one (CID 172537089) is 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one is CC(C)c1c(F)cn[nH]c1=O.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is IYXOAFCBFXGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-10-7(6)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one?
4-fluoro-5-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 156.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 172537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).