2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C13H13N3O2 — CID 7662372

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-9-2-4-10(5-3-9)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyVYPXMAABJIDBTC-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.70
Rot. Bonds3

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7662372) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7662372
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-9-2-4-10(5-3-9)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyVYPXMAABJIDBTC-UHFFFAOYSA-N
XLogP0.70
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7662372) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VYPXMAABJIDBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-2-4-10(5-3-9)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7662372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).