4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one

C9H12N2O2 — CID 22966720

IUPAC4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(C)c(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-6-4-10-11(5-7(2)12)9(13)8(6)3/h4H,5H2,1-3H3
InChIKeyGLCHTLVMLQWLJP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.45
Rot. Bonds2

About 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one

4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 22966720) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one
PubChem CID22966720
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(C)c(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-6-4-10-11(5-7(2)12)9(13)8(6)3/h4H,5H2,1-3H3
InChIKeyGLCHTLVMLQWLJP-UHFFFAOYSA-N
XLogP0.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-Trimethylpyridazin-3-one
CID 20669839
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
4,5-Dimethyl-2-propan-2-ylpyridazin-3-one
CID 58336857
2-Ethyl-4,5-dimethylpyridazin-3-one
CID 68294011
4,5-Bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one
CID 143873317
Ethane;2,4,5-trimethylpyridazin-3-one
CID 143899619
2-Ethyl-4-propan-2-ylidenepyrazol-3-one
CID 144511348
2-Butyl-5-hydroxy-4-methylpyridazin-3-one
CID 154023466
5-Methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 106548763
5-Methyl-2-(2-oxopentyl)pyridazin-3-one
CID 106548773
5-Methyl-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 106548788
5-Methyl-2-(3-oxobutyl)pyridazin-3-one
CID 106548804

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one (CID 22966720) is 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(C)c(C)c1=O.
What is the InChIKey of 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is GLCHTLVMLQWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-10-11(5-7(2)12)9(13)8(6)3/h4H,5H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one?
4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 22966720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).