5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one

C15H19N3O3 — CID 103223290

IUPAC5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C15H19N3O3/c16-6-1-7-21-14-8-15(20)18(17-9-14)10-12-2-4-13(11-19)5-3-12/h2-5,8-9,19H,1,6-7,10-11,16H2
InChIKeyXUVVUGFSBXMAND-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.51
Rot. Bonds7

About 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 103223290) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
PubChem CID103223290
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C15H19N3O3/c16-6-1-7-21-14-8-15(20)18(17-9-14)10-12-2-4-13(11-19)5-3-12/h2-5,8-9,19H,1,6-7,10-11,16H2
InChIKeyXUVVUGFSBXMAND-UHFFFAOYSA-N
XLogP0.51
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223081
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-(3-aminopropoxy)-2-[(4-bromo-2-fluorophenyl)methyl]pyridazin-3-one
CID 103223196
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-(3-aminopropoxy)-2-[(2-bromo-4-fluorophenyl)methyl]pyridazin-3-one
CID 103223296
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103223298

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one (CID 103223290) is 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one is NCCCOc1cnn(Cc2ccc(CO)cc2)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is XUVVUGFSBXMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-6-1-7-21-14-8-15(20)18(17-9-14)10-12-2-4-13(11-19)5-3-12/h2-5,8-9,19H,1,6-7,10-11,16H2.
What are the key properties of 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 103223290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).