3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one

C6H5ClN4O — CID 117272907

IUPAC3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
SMILESCn1c(=O)[nH]c2cc(Cl)nnc21
InChIInChI=1S/C6H5ClN4O/c1-11-5-3(8-6(11)12)2-4(7)9-10-5/h2H,1H3,(H,8,12)
InChIKeySOSOQMRZLQRJJB-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.31
Rot. Bonds

About 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one

3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one (PubChem CID 117272907) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
PubChem CID117272907
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
SMILESCn1c(=O)[nH]c2cc(Cl)nnc21
InChIInChI=1S/C6H5ClN4O/c1-11-5-3(8-6(11)12)2-4(7)9-10-5/h2H,1H3,(H,8,12)
InChIKeySOSOQMRZLQRJJB-UHFFFAOYSA-N
XLogP0.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-Chloropyridazin-3-yl)-4,4-dimethylimidazolidin-2-one
CID 57516776
7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
CID 68217998
3-Chloro-5,7-dimethylimidazo[4,5-c]pyridazin-6-one
CID 117272908
5-methyl-7H-imidazo[4,5-c]pyridazin-6-one
CID 130250896
N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
CID 135217284
tert-butyl 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylate
CID 163374258
3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid
CID 169100031
3-chloro-5-methyl-7H-imidazo[4,5-c]pyridazin-6-one
CID 170722682
3-Chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one
CID 170722684
3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
CID 170722690
3-chloro-7-pentan-3-yl-5H-imidazo[4,5-c]pyridazin-6-one
CID 177978648
3-Chloro-5,7-dihydroimidazo[4,5-c]pyridazine-6-thione
CID 21816413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one?
The IUPAC name of 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one (CID 117272907) is 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one is Cn1c(=O)[nH]c2cc(Cl)nnc21.
What is the InChIKey of 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one?
The InChIKey is SOSOQMRZLQRJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-11-5-3(8-6(11)12)2-4(7)9-10-5/h2H,1H3,(H,8,12).
What are the key properties of 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one?
3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one has a molecular weight of 184.59 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one is sourced from PubChem (CID 117272907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).