4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one

C9H12ClN3O2 — CID 1474948

IUPAC4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N(C)C)c(Cl)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-6(14)5-13-9(15)8(10)7(4-11-13)12(2)3/h4H,5H2,1-3H3
InChIKeyCKXNGBLRXYMYKD-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.55
Rot. Bonds3

About 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one

4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 1474948) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID1474948
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N(C)C)c(Cl)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-6(14)5-13-9(15)8(10)7(4-11-13)12(2)3/h4H,5H2,1-3H3
InChIKeyCKXNGBLRXYMYKD-UHFFFAOYSA-N
XLogP0.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one (CID 1474948) is 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(N(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is CKXNGBLRXYMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6(14)5-13-9(15)8(10)7(4-11-13)12(2)3/h4H,5H2,1-3H3.
What are the key properties of 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one?
4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 229.67 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 1474948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).