N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

C17H19N5OS — CID 34637280

IUPACN-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc(C)nn23)c1
InChIInChI=1S/C17H19N5OS/c1-10-5-6-11(2)14(7-10)18-15(23)9-24-17-20-19-16-12(3)8-13(4)21-22(16)17/h5-8H,9H2,1-4H3,(H,18,23)
InChIKeyJFGXIQSCYIEPOF-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (PubChem CID 34637280) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
PubChem CID34637280
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc(C)nn23)c1
InChIInChI=1S/C17H19N5OS/c1-10-5-6-11(2)14(7-10)18-15(23)9-24-17-20-19-16-12(3)8-13(4)21-22(16)17/h5-8H,9H2,1-4H3,(H,18,23)
InChIKeyJFGXIQSCYIEPOF-UHFFFAOYSA-N
XLogP3.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 8628405
N-(2,5-dimethylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3445729
N-(2,5-dimethylphenyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40550229
N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1130283
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 40930891
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 19729127
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
2-[[5-(3-chloro-4-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 21371413
2-[[5-(2-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 1457323
N-(2,5-dimethylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101546
N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3996618
N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151271

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (CID 34637280) is N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc(C)nn23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The InChIKey is JFGXIQSCYIEPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-5-6-11(2)14(7-10)18-15(23)9-24-17-20-19-16-12(3)8-13(4)21-22(16)17/h5-8H,9H2,1-4H3,(H,18,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 34637280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).