2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one

C14H16FN3O2 — CID 82421632

IUPAC2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1nn(-c2ccccc2F)c(=O)cc1O
InChIInChI=1S/C14H16FN3O2/c1-2-7-16-9-11-13(19)8-14(20)18(17-11)12-6-4-3-5-10(12)15/h3-6,8,16,19H,2,7,9H2,1H3
InChIKeyRXSAYVALMFGPAT-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one

2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one (PubChem CID 82421632) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
PubChem CID82421632
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1nn(-c2ccccc2F)c(=O)cc1O
InChIInChI=1S/C14H16FN3O2/c1-2-7-16-9-11-13(19)8-14(20)18(17-11)12-6-4-3-5-10(12)15/h3-6,8,16,19H,2,7,9H2,1H3
InChIKeyRXSAYVALMFGPAT-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)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

6-[(cyclopropylamino)methyl]-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421633
2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82421643
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
6-[(cyclopropylamino)methyl]-2-(2,6-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420777
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
6-[(butan-2-ylamino)methyl]-2-(3,4-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420910

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one (CID 82421632) is 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one is CCCNCc1nn(-c2ccccc2F)c(=O)cc1O.
What is the InChIKey of 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one?
The InChIKey is RXSAYVALMFGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-7-16-9-11-13(19)8-14(20)18(17-11)12-6-4-3-5-10(12)15/h3-6,8,16,19H,2,7,9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one?
2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one has a molecular weight of 277.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82421632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).