N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide

C17H20N6O — CID 176502712

IUPACN-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide
SMILESCCc1cc(NCC(=O)Nc2cccc(C)c2C)c2nncn2n1
InChIInChI=1S/C17H20N6O/c1-4-13-8-15(17-21-19-10-23(17)22-13)18-9-16(24)20-14-7-5-6-11(2)12(14)3/h5-8,10,18H,4,9H2,1-3H3,(H,20,24)
InChIKeyPUZLVSAQLCRKTG-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.35
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide (PubChem CID 176502712) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide
PubChem CID176502712
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide
SMILESCCc1cc(NCC(=O)Nc2cccc(C)c2C)c2nncn2n1
InChIInChI=1S/C17H20N6O/c1-4-13-8-15(17-21-19-10-23(17)22-13)18-9-16(24)20-14-7-5-6-11(2)12(14)3/h5-8,10,18H,4,9H2,1-3H3,(H,20,24)
InChIKeyPUZLVSAQLCRKTG-UHFFFAOYSA-N
XLogP2.35
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide (CID 176502712) is N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide is CCc1cc(NCC(=O)Nc2cccc(C)c2C)c2nncn2n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide?
The InChIKey is PUZLVSAQLCRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-4-13-8-15(17-21-19-10-23(17)22-13)18-9-16(24)20-14-7-5-6-11(2)12(14)3/h5-8,10,18H,4,9H2,1-3H3,(H,20,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide is sourced from PubChem (CID 176502712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).