5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

C14H23N3O3 — CID 103223292

IUPAC5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(OCCCN)cc2=O)O1
InChIInChI=1S/C14H23N3O3/c1-14(2)5-4-11(20-14)10-17-13(18)8-12(9-16-17)19-7-3-6-15/h8-9,11H,3-7,10,15H2,1-2H3
InChIKeyHRMSMOAQIVSQPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.93
Rot. Bonds6

About 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103223292) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103223292
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(OCCCN)cc2=O)O1
InChIInChI=1S/C14H23N3O3/c1-14(2)5-4-11(20-14)10-17-13(18)8-12(9-16-17)19-7-3-6-15/h8-9,11H,3-7,10,15H2,1-2H3
InChIKeyHRMSMOAQIVSQPD-UHFFFAOYSA-N
XLogP0.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
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-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (CID 103223292) is 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is CC1(C)CCC(Cn2ncc(OCCCN)cc2=O)O1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is HRMSMOAQIVSQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2)5-4-11(20-14)10-17-13(18)8-12(9-16-17)19-7-3-6-15/h8-9,11H,3-7,10,15H2,1-2H3.
What are the key properties of 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).