6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C18H16N4S2 — CID 133493594

IUPAC6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(CSc2ccc3nnc(-c4ccsc4)n3n2)cc1C
InChIInChI=1S/C18H16N4S2/c1-12-3-4-14(9-13(12)2)10-24-17-6-5-16-19-20-18(22(16)21-17)15-7-8-23-11-15/h3-9,11H,10H2,1-2H3
InChIKeyOQVBORCSNXZTTK-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.76
Rot. Bonds4

About 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133493594) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133493594
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(CSc2ccc3nnc(-c4ccsc4)n3n2)cc1C
InChIInChI=1S/C18H16N4S2/c1-12-3-4-14(9-13(12)2)10-24-17-6-5-16-19-20-18(22(16)21-17)15-7-8-23-11-15/h3-9,11H,10H2,1-2H3
InChIKeyOQVBORCSNXZTTK-UHFFFAOYSA-N
XLogP4.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine 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

6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190904
3-(3,4-dimethoxyphenyl)-6-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 7118319
5-methyl-1-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 133488179
3-(4-chlorophenyl)-6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 43935636
3-(3,4-dimethoxyphenyl)-6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 7118314
6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190735
6-ethylsulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190804
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488143
N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560
3-(3,4-dimethoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 43935778
6-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488901
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133493594) is 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(CSc2ccc3nnc(-c4ccsc4)n3n2)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OQVBORCSNXZTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S2/c1-12-3-4-14(9-13(12)2)10-24-17-6-5-16-19-20-18(22(16)21-17)15-7-8-23-11-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133493594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).