5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C5H7ClN2O — CID 147798893

IUPAC5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1C=NNC(=O)C1Cl
InChIInChI=1S/C5H7ClN2O/c1-3-2-7-8-5(9)4(3)6/h2-4H,1H3,(H,8,9)
InChIKeyHLCLVAGCLBLMFZ-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.35
Rot. Bonds

About 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one

5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 147798893) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID147798893
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1C=NNC(=O)C1Cl
InChIInChI=1S/C5H7ClN2O/c1-3-2-7-8-5(9)4(3)6/h2-4H,1H3,(H,8,9)
InChIKeyHLCLVAGCLBLMFZ-UHFFFAOYSA-N
XLogP0.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(4-oxopiperidin-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 138472162
propyl 4-methyl-6-oxo-4,5-dihydro-1H-pyridazine-5-carboxylate
CID 54388322
4,5-ditert-butyl-4,5-dihydro-1H-pyridazin-6-one
CID 90192644
4-tert-butyl-4,5-dihydro-1H-pyridazin-6-one
CID 90967380
3-propan-2-yl-6,7a-dihydro-3aH-imidazo[4,5-d]pyridazin-7-one
CID 157373442
5-tert-butyl-6-methyl-1,4,5,6-tetrahydrodiazepin-7-one
CID 123685178
5-chloro-6-methyl-1,3-diazinane-2,4-dione
CID 45358690
3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
CID 143529364
4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-one;yttrium
CID 158063163
(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 723855
5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one
CID 123506307
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 147798893) is 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1C=NNC(=O)C1Cl.
What is the InChIKey of 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HLCLVAGCLBLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-3-2-7-8-5(9)4(3)6/h2-4H,1H3,(H,8,9).
What are the key properties of 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 146.58 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 147798893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).