3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one

C13H11ClN4O — CID 13381148

IUPAC3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one
SMILESCn1ncc2c(c(-c3ccc(Cl)cc3)nn2C)c1=O
InChIInChI=1S/C13H11ClN4O/c1-17-10-7-15-18(2)13(19)11(10)12(16-17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyYJOXNFLXQZKVSX-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.99
Rot. Bonds1

About 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one

3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one (PubChem CID 13381148) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one
PubChem CID13381148
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one
SMILESCn1ncc2c(c(-c3ccc(Cl)cc3)nn2C)c1=O
InChIInChI=1S/C13H11ClN4O/c1-17-10-7-15-18(2)13(19)11(10)12(16-17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyYJOXNFLXQZKVSX-UHFFFAOYSA-N
XLogP1.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-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 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one (CID 13381148) is 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one is Cn1ncc2c(c(-c3ccc(Cl)cc3)nn2C)c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is YJOXNFLXQZKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-17-10-7-15-18(2)13(19)11(10)12(16-17)8-3-5-9(14)6-4-8/h3-7H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one?
3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 274.71 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 13381148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).