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

C15H19N3O3 — CID 103223081

IUPAC5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C15H19N3O3/c1-11(16)10-21-14-6-15(20)18(17-7-14)8-12-2-4-13(9-19)5-3-12/h2-7,11,19H,8-10,16H2,1H3
InChIKeyJBHYLISYCIXUIY-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.51
Rot. Bonds6

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

5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 103223081) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
PubChem CID103223081
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccc(CO)cc2)c(=O)c1
InChIInChI=1S/C15H19N3O3/c1-11(16)10-21-14-6-15(20)18(17-7-14)8-12-2-4-13(9-19)5-3-12/h2-7,11,19H,8-10,16H2,1H3
InChIKeyJBHYLISYCIXUIY-UHFFFAOYSA-N
XLogP0.51
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 103222937
5-(2-aminopropoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222940
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
5-(2-aminopropoxy)-2-[(3-bromo-5-fluorophenyl)methyl]pyridazin-3-one
CID 103222923
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
CID 103223038
5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
CID 103222984
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 103222956
5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223098
5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222927
5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 103223101

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one (CID 103223081) is 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one is CC(N)COc1cnn(Cc2ccc(CO)cc2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is JBHYLISYCIXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(16)10-21-14-6-15(20)18(17-7-14)8-12-2-4-13(9-19)5-3-12/h2-7,11,19H,8-10,16H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 103223081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).