6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one

C9H13FN2O — CID 172614414

IUPAC6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)c(F)nn(C)c1=O
InChIInChI=1S/C9H13FN2O/c1-5(2)7-6(3)9(13)12(4)11-8(7)10/h5H,1-4H3
InChIKeyUINZGHWRBPUTDK-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.35
Rot. Bonds1

About 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one

6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one (PubChem CID 172614414) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
PubChem CID172614414
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)c(F)nn(C)c1=O
InChIInChI=1S/C9H13FN2O/c1-5(2)7-6(3)9(13)12(4)11-8(7)10/h5H,1-4H3
InChIKeyUINZGHWRBPUTDK-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2,4-dimethyl-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-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
4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
6-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614571
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
4-Ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 170600352
5-Ethyl-2,4-dimethylpyridazin-3-one
CID 170978400
Ethane;5-ethyl-2,4-dimethylpyridazin-3-one
CID 170978453
2,4-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 170979290
2-Methyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 171734882

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one (CID 172614414) is 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one is Cc1c(C(C)C)c(F)nn(C)c1=O.
What is the InChIKey of 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is UINZGHWRBPUTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5(2)7-6(3)9(13)12(4)11-8(7)10/h5H,1-4H3.
What are the key properties of 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one?
6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 184.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 172614414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).