N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

C17H14N6O2S — CID 3240823

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-9-13(22-25-11)18-15(24)10-26-16-8-7-14-19-20-17(23(14)21-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,22,24)
InChIKeyGZTXFWXKGLNACO-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.82
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 3240823) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID3240823
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-9-13(22-25-11)18-15(24)10-26-16-8-7-14-19-20-17(23(14)21-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,22,24)
InChIKeyGZTXFWXKGLNACO-UHFFFAOYSA-N
XLogP2.82
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide 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

2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 3236478
N-(5-methyl-1,2-oxazol-3-yl)-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide
CID 1173303
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2543627
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 5310168
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855630
N-(5-methylisoxazol-3-yl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228051
N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
CID 5310005
N-(5-methylisoxazol-3-yl)-2-((3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310527
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16188158
N-(5-Methyl-isoxazol-3-yl)-2-(4-methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 2507501
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2564215
2-(5-Benzyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1154532

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 3240823) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is GZTXFWXKGLNACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-11-9-13(22-25-11)18-15(24)10-26-16-8-7-14-19-20-17(23(14)21-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 366.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 3240823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).