3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one

C16H21N3O3 — CID 82446278

IUPAC3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
SMILESCCCNCc1cc(-c2cc(OC)ccc2OC)n[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-7-17-10-11-8-14(18-19-16(11)20)13-9-12(21-2)5-6-15(13)22-3/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyGFSDQRVBIJKNQD-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.95
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one

3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one (PubChem CID 82446278) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
PubChem CID82446278
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
SMILESCCCNCc1cc(-c2cc(OC)ccc2OC)n[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-7-17-10-11-8-14(18-19-16(11)20)13-9-12(21-2)5-6-15(13)22-3/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyGFSDQRVBIJKNQD-UHFFFAOYSA-N
XLogP1.95
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
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
5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
CID 82445656
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one (CID 82446278) is 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one is CCCNCc1cc(-c2cc(OC)ccc2OC)n[nH]c1=O.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one?
The InChIKey is GFSDQRVBIJKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-7-17-10-11-8-14(18-19-16(11)20)13-9-12(21-2)5-6-15(13)22-3/h5-6,8-9,17H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one?
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one has a molecular weight of 303.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).