4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C19H16Cl2N6OS — CID 166190766

IUPAC4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)CCO2)n1
InChIInChI=1S/C19H16Cl2N6OS/c1-11-10-29-19(22-11)15-9-26(4-5-28-15)17-3-2-16-23-24-18(27(16)25-17)12-6-13(20)8-14(21)7-12/h2-3,6-8,10,15H,4-5,9H2,1H3
InChIKeyGXBQTLFEBKVESR-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.44
Rot. Bonds3

About 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 166190766) has the molecular formula C19H16Cl2N6OS and a molecular weight of 447.35 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID166190766
Molecular FormulaC19H16Cl2N6OS
Molecular Weight447.35 g/mol
Exact Mass446.05
IUPAC Name4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)CCO2)n1
InChIInChI=1S/C19H16Cl2N6OS/c1-11-10-29-19(22-11)15-9-26(4-5-28-15)17-3-2-16-23-24-18(27(16)25-17)12-6-13(20)8-14(21)7-12/h2-3,6-8,10,15H,4-5,9H2,1H3
InChIKeyGXBQTLFEBKVESR-UHFFFAOYSA-N
XLogP4.44
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 166190766) is 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(c3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)CCO2)n1.
What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is GXBQTLFEBKVESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6OS/c1-11-10-29-19(22-11)15-9-26(4-5-28-15)17-3-2-16-23-24-18(27(16)25-17)12-6-13(20)8-14(21)7-12/h2-3,6-8,10,15H,4-5,9H2,1H3.
What are the key properties of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 447.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 166190766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).