3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one

C14H17N3O2 — CID 82446311

IUPAC3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
SMILESCNCc1cc(-c2ccc(OC)c(C)c2)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18)
InChIKeyOPRXRBAKEOEIIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds4

About 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one

3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one (PubChem CID 82446311) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
PubChem CID82446311
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
SMILESCNCc1cc(-c2ccc(OC)c(C)c2)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18)
InChIKeyOPRXRBAKEOEIIJ-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

3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
CID 82446346
(E)-3-[3-(4-methoxy-3-methylphenyl)-6-oxo-1H-pyridazin-5-yl]prop-2-enoic acid
CID 82446331
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 59301205
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one (CID 82446311) is 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one is CNCc1cc(-c2ccc(OC)c(C)c2)n[nH]c1=O.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
The InChIKey is OPRXRBAKEOEIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15-2)14(18)17-16-12/h4-7,15H,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one?
3-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).