3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

C23H30N6OS — CID 20903740

IUPAC3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)cc1
InChIInChI=1S/C23H30N6OS/c1-17-12-15-28(16-13-17)22-8-7-20-25-26-21(29(20)27-22)9-10-23(30)24-14-11-18-3-5-19(31-2)6-4-18/h3-8,17H,9-16H2,1-2H3,(H,24,30)
InChIKeyYFEVKHLWPZDBBP-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.37
Rot. Bonds8

About 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 20903740) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID20903740
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)cc1
InChIInChI=1S/C23H30N6OS/c1-17-12-15-28(16-13-17)22-8-7-20-25-26-21(29(20)27-22)9-10-23(30)24-14-11-18-3-5-19(31-2)6-4-18/h3-8,17H,9-16H2,1-2H3,(H,24,30)
InChIKeyYFEVKHLWPZDBBP-UHFFFAOYSA-N
XLogP3.37
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide 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

N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903834
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904150
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903738
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one;hydrochloride
CID 126460416
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903893
N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903896
3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 20903864
N-[(4-methoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903861
1-[3-[3-(3,4-dimethylanilino)-3-oxopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 20881419
N-(4-ethylphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 46344919
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 20903989

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 20903740) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)cc1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is YFEVKHLWPZDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-17-12-15-28(16-13-17)22-8-7-20-25-26-21(29(20)27-22)9-10-23(30)24-14-11-18-3-5-19(31-2)6-4-18/h3-8,17H,9-16H2,1-2H3,(H,24,30).
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 438.60 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 20903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).