5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one

C10H15FN2O — CID 172614445

IUPAC5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
SMILESCCC(C)c1c(C)nn(C)c(=O)c1F
InChIInChI=1S/C10H15FN2O/c1-5-6(2)8-7(3)12-13(4)10(14)9(8)11/h6H,5H2,1-4H3
InChIKeyRXAAXUZSVQQPDI-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.74
Rot. Bonds2

About 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one

5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one (PubChem CID 172614445) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
PubChem CID172614445
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
SMILESCCC(C)c1c(C)nn(C)c(=O)c1F
InChIInChI=1S/C10H15FN2O/c1-5-6(2)8-7(3)12-13(4)10(14)9(8)11/h6H,5H2,1-4H3
InChIKeyRXAAXUZSVQQPDI-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 162773660
4,6-Difluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172299327
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
2,5-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 162773622
2,4,6-Trimethyl-5-propan-2-ylpyridazin-3-one
CID 172614387
2,6-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614593
2-Methyl-6-(3-methylpentan-2-yl)pyridazin-3-one
CID 178009381

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one (CID 172614445) is 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one is CCC(C)c1c(C)nn(C)c(=O)c1F.
What is the InChIKey of 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one?
The InChIKey is RXAAXUZSVQQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-5-6(2)8-7(3)12-13(4)10(14)9(8)11/h6H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one?
5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one has a molecular weight of 198.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 172614445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).