2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide

C15H17N3O2 — CID 7672237

IUPAC2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCc1cc(C)c(-c2ccc(=O)n(CC(N)=O)n2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-6-11(3)12(7-10(9)2)13-4-5-15(20)18(17-13)8-14(16)19/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyAHGKFNHUGAFRFC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds3

About 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide

2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (PubChem CID 7672237) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
PubChem CID7672237
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCc1cc(C)c(-c2ccc(=O)n(CC(N)=O)n2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-6-11(3)12(7-10(9)2)13-4-5-15(20)18(17-13)8-14(16)19/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyAHGKFNHUGAFRFC-UHFFFAOYSA-N
XLogP1.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 8699180
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766
N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672290
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671911
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672207
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (CID 7672237) is 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is Cc1cc(C)c(-c2ccc(=O)n(CC(N)=O)n2)cc1C.
What is the InChIKey of 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The InChIKey is AHGKFNHUGAFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-11(3)12(7-10(9)2)13-4-5-15(20)18(17-13)8-14(16)19/h4-7H,8H2,1-3H3,(H2,16,19).
What are the key properties of 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 7672237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).