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

C8H11ClN2O — CID 20712566

IUPAC4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3
InChIKeyLOFNEEAETHIPKN-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.56
Rot. Bonds1

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

4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one (PubChem CID 20712566) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one
PubChem CID20712566
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3
InChIKeyLOFNEEAETHIPKN-UHFFFAOYSA-N
XLogP1.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
4-Chloro-2,5-dimethylpyridazin-3-one
CID 59803331
4-Chloro-5-ethyl-2-methylpyridazin-3-one
CID 60031398
5-Propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
CID 154598825
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
5-Acetyl-4-chloro-2-methylpyridazin-3-one
CID 170348164
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
2,4-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 170979290
5-(1-Azidoethyl)-4-chloro-2-methylpyridazin-3-one
CID 177361727
5-(1-Aminoethyl)-4-chloro-2-methylpyridazin-3-one
CID 177361909
5-Chloro-2-methyl-4-propan-2-ylpyridazin-3-one
CID 177781498

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one (CID 20712566) is 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one is CC(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is LOFNEEAETHIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(2)6-4-10-11(3)8(12)7(6)9/h4-5H,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one?
4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 186.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 20712566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).