2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one

C16H21N3O2 — CID 62850131

IUPAC2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
SMILESCCCNCc1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-11-13-6-7-15(21-2)14(10-13)12-19-16(20)5-4-9-18-19/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyFDRABSKFHCXSEG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds7

About 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one

2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 62850131) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
PubChem CID62850131
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
SMILESCCCNCc1ccc(OC)c(Cn2ncccc2=O)c1
InChIInChI=1S/C16H21N3O2/c1-3-8-17-11-13-6-7-15(21-2)14(10-13)12-19-16(20)5-4-9-18-19/h4-7,9-10,17H,3,8,11-12H2,1-2H3
InChIKeyFDRABSKFHCXSEG-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850668
1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
CID 62019127
N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
CID 62016883
N-[[4-methoxy-3-(propylsulfonylmethyl)phenyl]methyl]propan-1-amine
CID 64647084
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
CID 63219762
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 19624915
2-[[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]methyl]pyridazin-3-one
CID 62848738

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one (CID 62850131) is 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one is CCCNCc1ccc(OC)c(Cn2ncccc2=O)c1.
What is the InChIKey of 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is FDRABSKFHCXSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-17-11-13-6-7-15(21-2)14(10-13)12-19-16(20)5-4-9-18-19/h4-7,9-10,17H,3,8,11-12H2,1-2H3.
What are the key properties of 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one?
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 62850131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).