2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one

C13H9ClN4O — CID 74586325

IUPAC2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one
SMILESC=C1N=NC(=O)c2nn(-c3ccccc3Cl)c(C)c21
InChIInChI=1S/C13H9ClN4O/c1-7-11-8(2)18(10-6-4-3-5-9(10)14)17-12(11)13(19)16-15-7/h3-6H,1H2,2H3
InChIKeyMUDYTOLUGKDFSB-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.41
Rot. Bonds1

About 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one

2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one (PubChem CID 74586325) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one
PubChem CID74586325
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one
SMILESC=C1N=NC(=O)c2nn(-c3ccccc3Cl)c(C)c21
InChIInChI=1S/C13H9ClN4O/c1-7-11-8(2)18(10-6-4-3-5-9(10)14)17-12(11)13(19)16-15-7/h3-6H,1H2,2H3
InChIKeyMUDYTOLUGKDFSB-UHFFFAOYSA-N
XLogP3.41
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
2-(2-chlorophenyl)-4,5-dimethyltriazole
CID 21395782
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
2-(2-chlorophenyl)-4-phenylphthalazin-1-one
CID 69161098
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
2-(2-chlorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 19371922
1-(2-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 607612
2-(2-chlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058359
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one (CID 74586325) is 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one is C=C1N=NC(=O)c2nn(-c3ccccc3Cl)c(C)c21.
What is the InChIKey of 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is MUDYTOLUGKDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c1-7-11-8(2)18(10-6-4-3-5-9(10)14)17-12(11)13(19)16-15-7/h3-6H,1H2,2H3.
What are the key properties of 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one?
2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 272.70 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 74586325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).