5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one

C14H17N3O3 — CID 103223183

IUPAC5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2cccc(O)c2)c(=O)c1
InChIInChI=1S/C14H17N3O3/c15-5-2-6-20-13-8-14(19)17(16-9-13)10-11-3-1-4-12(18)7-11/h1,3-4,7-9,18H,2,5-6,10,15H2
InChIKeyYRFZJXSSKUVPOK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.72
Rot. Bonds6

About 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one (PubChem CID 103223183) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
PubChem CID103223183
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2cccc(O)c2)c(=O)c1
InChIInChI=1S/C14H17N3O3/c15-5-2-6-20-13-8-14(19)17(16-9-13)10-11-3-1-4-12(18)7-11/h1,3-4,7-9,18H,2,5-6,10,15H2
InChIKeyYRFZJXSSKUVPOK-UHFFFAOYSA-N
XLogP0.72
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one (CID 103223183) is 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one is NCCCOc1cnn(Cc2cccc(O)c2)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
The InChIKey is YRFZJXSSKUVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-5-2-6-20-13-8-14(19)17(16-9-13)10-11-3-1-4-12(18)7-11/h1,3-4,7-9,18H,2,5-6,10,15H2.
What are the key properties of 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one has a molecular weight of 275.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).