3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one

C14H17N3O2 — CID 82446366

IUPAC3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
SMILESCNCc1cc(-c2cc(C)ccc2OC)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18)
InChIKeyDEPCMIAKIVXTDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds4

About 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one

3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one (PubChem CID 82446366) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
PubChem CID82446366
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
SMILESCNCc1cc(-c2cc(C)ccc2OC)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18)
InChIKeyDEPCMIAKIVXTDL-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
1-[2-(2-methoxy-5-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65287926
3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
CID 82446346

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one (CID 82446366) is 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one is CNCc1cc(-c2cc(C)ccc2OC)n[nH]c1=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The InChIKey is DEPCMIAKIVXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-5-13(19-3)11(6-9)12-7-10(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).