3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione

C14H14N4S — CID 1234246

IUPAC3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione
SMILESCc1ccc(-n2nc3c(=S)[nH]nc(C)c3c2C)cc1
InChIInChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
InChIKeyKCGYRJGFRLIWJP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.40
Rot. Bonds1

About 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione

3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione (PubChem CID 1234246) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione.

Molecular Properties

Compound Name3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione
PubChem CID1234246
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione
SMILESCc1ccc(-n2nc3c(=S)[nH]nc(C)c3c2C)cc1
InChIInChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
InChIKeyKCGYRJGFRLIWJP-UHFFFAOYSA-N
XLogP3.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione 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

1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
CID 4307928
3,5-Dimethyl-4-(p-tolylazo)thiopyrazole-1-carboxamide
CID 3034568
2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
CID 1234240
2-(2-fluorophenyl)-3,4-dimethyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazine-7-thione
CID 1234241
4-[5-Phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727431
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727432
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
CID 16640534
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
CID 16769902
[2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19616721
3,5-dimethyl-1-(3-methylphenyl)-1H-pyrazol-4-amine
CID 20312858

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione?
The IUPAC name of 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione (CID 1234246) is 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione.
What is the SMILES notation for 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione?
The canonical SMILES for 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione is Cc1ccc(-n2nc3c(=S)[nH]nc(C)c3c2C)cc1.
What is the InChIKey of 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione?
The InChIKey is KCGYRJGFRLIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19).
What are the key properties of 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione?
3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione has a molecular weight of 270.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazine-7-thione is sourced from PubChem (CID 1234246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).