(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate

C13H12N2O3 — CID 110272835

IUPAC(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)n(C)nc1-c1ccccc1
InChIInChI=1S/C13H12N2O3/c1-9(16)18-11-8-12(17)15(2)14-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyKBYWMVHXJGOHQO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.37
Rot. Bonds2

About (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate

(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate (PubChem CID 110272835) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate.

Molecular Properties

Compound Name(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
PubChem CID110272835
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)n(C)nc1-c1ccccc1
InChIInChI=1S/C13H12N2O3/c1-9(16)18-11-8-12(17)15(2)14-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyKBYWMVHXJGOHQO-UHFFFAOYSA-N
XLogP1.37
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-methyl-6-phenylpyridazin-3-one
CID 54705880
(6-amino-3-phenylpyridazin-4-yl) acetate
CID 110272658
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
(7-methyl-4-phenylpyrrolo[2,3-d]pyrimidin-5-yl) acetate
CID 154631955
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623694
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(2,4-diphenylphenyl) acetate
CID 57057849
6-acetyl-5-methoxy-2-methylpyridazin-3-one
CID 58072223
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324
(2-amino-5-phenylthiophen-3-yl) acetate
CID 174546159

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate?
The IUPAC name of (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate (CID 110272835) is (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate.
What is the SMILES notation for (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate?
The canonical SMILES for (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate is CC(=O)Oc1cc(=O)n(C)nc1-c1ccccc1.
What is the InChIKey of (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate?
The InChIKey is KBYWMVHXJGOHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9(16)18-11-8-12(17)15(2)14-13(11)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate?
(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate has a molecular weight of 244.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate is sourced from PubChem (CID 110272835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).