[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate

C12H11N3O3 — CID 54767618

IUPAC[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H11N3O3/c1-8(16)18-10-4-2-3-9(7-10)13-11-5-6-12(17)15-14-11/h2-7H,1H3,(H,13,14)(H,15,17)
InChIKeyLLEKWNBTTPCWJV-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.44
Rot. Bonds3

About [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate

[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate (PubChem CID 54767618) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate
PubChem CID54767618
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H11N3O3/c1-8(16)18-10-4-2-3-9(7-10)13-11-5-6-12(17)15-14-11/h2-7H,1H3,(H,13,14)(H,15,17)
InChIKeyLLEKWNBTTPCWJV-UHFFFAOYSA-N
XLogP1.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
CID 71521390
3-(4-methoxyanilino)-1H-pyridazin-6-one
CID 54765726
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
[3-[(3-methylphenyl)methylamino]phenyl] acetate
CID 82533297
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
CID 17341793
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874

Frequently Asked Questions

What is the IUPAC name of [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate?
The IUPAC name of [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate (CID 54767618) is [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate.
What is the SMILES notation for [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate?
The canonical SMILES for [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate is CC(=O)Oc1cccc(Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate?
The InChIKey is LLEKWNBTTPCWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8(16)18-10-4-2-3-9(7-10)13-11-5-6-12(17)15-14-11/h2-7H,1H3,(H,13,14)(H,15,17).
What are the key properties of [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate?
[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate has a molecular weight of 245.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate is sourced from PubChem (CID 54767618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).