6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H13ClN6OS — CID 118711399

IUPAC6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C16H13ClN6OS/c1-22-9-10(8-18-22)16-20-19-14-5-6-15(21-23(14)16)25-13-7-11(17)3-4-12(13)24-2/h3-9H,1-2H3
InChIKeySCQLLXPAJSBFIA-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.34
Rot. Bonds4

About 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711399) has the molecular formula C16H13ClN6OS and a molecular weight of 372.84 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711399
Molecular FormulaC16H13ClN6OS
Molecular Weight372.84 g/mol
Exact Mass372.06
IUPAC Name6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C16H13ClN6OS/c1-22-9-10(8-18-22)16-20-19-14-5-6-15(21-23(14)16)25-13-7-11(17)3-4-12(13)24-2/h3-9H,1-2H3
InChIKeySCQLLXPAJSBFIA-UHFFFAOYSA-N
XLogP3.34
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-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-[(2,5-Dimethoxyphenyl)sulfanyl]-3-(1-Methyl-1h-Pyrazol-4-Yl)[1,2,4]triazolo[4,3-B]pyridazine
CID 77068229
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711383
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711394
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711395
4-Methoxy-3-[[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
CID 118711398
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 118711413
5-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 118711414
6-(2-Methoxy-5-propan-2-ylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711401
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 118711412
6-(2,5-Dimethoxyphenyl)sulfanyl-3-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711390
6-(2,5-Dimethoxyphenyl)sulfanyl-7-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711410
6-(2,5-Dimethoxyphenyl)sulfanyl-8-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711411

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711399) is 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SCQLLXPAJSBFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6OS/c1-22-9-10(8-18-22)16-20-19-14-5-6-15(21-23(14)16)25-13-7-11(17)3-4-12(13)24-2/h3-9H,1-2H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 372.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).