4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one

C8H11FN2O — CID 172614337

IUPAC4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1F
InChIInChI=1S/C8H11FN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3
InChIKeyBYZHTSQCXHPQEI-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.04
Rot. Bonds1

About 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one

4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one (PubChem CID 172614337) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
PubChem CID172614337
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1F
InChIInChI=1S/C8H11FN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3
InChIKeyBYZHTSQCXHPQEI-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one
CID 170173417
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587438
4,6-Difluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172299327
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
4-Chloro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 20712566
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
5-Ethyl-2-methylpyridazin-3-one
CID 126553938
Ethane;5-ethyl-2-methylpyridazin-3-one
CID 144079070
5-Propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
CID 154598825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one (CID 172614337) is 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one is CC(C)c1cnn(C)c(=O)c1F.
What is the InChIKey of 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is BYZHTSQCXHPQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one?
4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 170.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 172614337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).