3-(4-methoxyanilino)-1H-pyridazin-6-one

C11H11N3O2 — CID 54765726

IUPAC3-(4-methoxyanilino)-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)12-10-6-7-11(15)14-13-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyUSRXXPBHDSCMLG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.52
Rot. Bonds3

About 3-(4-methoxyanilino)-1H-pyridazin-6-one

3-(4-methoxyanilino)-1H-pyridazin-6-one (PubChem CID 54765726) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1H-pyridazin-6-one
PubChem CID54765726
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(4-methoxyanilino)-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)12-10-6-7-11(15)14-13-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyUSRXXPBHDSCMLG-UHFFFAOYSA-N
XLogP1.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyanilino)-1H-pyridin-2-one
CID 175774700
[3-[(6-oxo-1H-pyridazin-3-yl)amino]phenyl] acetate
CID 54767618
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887187
N-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 90956570
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
3-[4-fluoro-3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54765559
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyanilino)-1H-pyridazin-6-one (CID 54765726) is 3-(4-methoxyanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyanilino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyanilino)-1H-pyridazin-6-one is COc1ccc(Nc2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1H-pyridazin-6-one?
The InChIKey is USRXXPBHDSCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-9-4-2-8(3-5-9)12-10-6-7-11(15)14-13-10/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(4-methoxyanilino)-1H-pyridazin-6-one?
3-(4-methoxyanilino)-1H-pyridazin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 54765726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).