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

C15H10Cl2N6S — CID 118711400

IUPAC6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2nnc3ccc(Sc4cc(Cl)ccc4Cl)nn23)cn1
InChIInChI=1S/C15H10Cl2N6S/c1-22-8-9(7-18-22)15-20-19-13-4-5-14(21-23(13)15)24-12-6-10(16)2-3-11(12)17/h2-8H,1H3
InChIKeyCHZHXTTVVIBLII-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.98
Rot. Bonds3

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

6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711400) has the molecular formula C15H10Cl2N6S and a molecular weight of 377.26 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711400
Molecular FormulaC15H10Cl2N6S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2nnc3ccc(Sc4cc(Cl)ccc4Cl)nn23)cn1
InChIInChI=1S/C15H10Cl2N6S/c1-22-8-9(7-18-22)15-20-19-13-4-5-14(21-23(13)15)24-12-6-10(16)2-3-11(12)17/h2-8H,1H3
InChIKeyCHZHXTTVVIBLII-UHFFFAOYSA-N
XLogP3.98
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711400) is 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cc(-c2nnc3ccc(Sc4cc(Cl)ccc4Cl)nn23)cn1.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CHZHXTTVVIBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6S/c1-22-8-9(7-18-22)15-20-19-13-4-5-14(21-23(13)15)24-12-6-10(16)2-3-11(12)17/h2-8H,1H3.
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 377.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).