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

C13H21N3O3 — CID 103223186

IUPAC5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(OCCCN)cc2=O)O1
InChIInChI=1S/C13H21N3O3/c1-10-3-4-11(19-10)9-16-13(17)7-12(8-15-16)18-6-2-5-14/h7-8,10-11H,2-6,9,14H2,1H3
InChIKeyMDEPMFDLLVBRAC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.54
Rot. Bonds6

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

5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103223186) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103223186
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(OCCCN)cc2=O)O1
InChIInChI=1S/C13H21N3O3/c1-10-3-4-11(19-10)9-16-13(17)7-12(8-15-16)18-6-2-5-14/h7-8,10-11H,2-6,9,14H2,1H3
InChIKeyMDEPMFDLLVBRAC-UHFFFAOYSA-N
XLogP0.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.54
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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Related Compounds

2-[2-(Oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
5-Iodo-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103136855
5-Amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103218268
5-(Methylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103218552
5-(Methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103218578
5-(Ethylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103219012
2-[(5-Methyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219412
2-(Oxolan-2-ylmethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219451
5-(Cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103219794
2-[(5-Methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220169
2-(Oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220197
5-(Cyclobutylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
CID 103220539

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (CID 103223186) is 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is CC1CCC(Cn2ncc(OCCCN)cc2=O)O1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is MDEPMFDLLVBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-3-4-11(19-10)9-16-13(17)7-12(8-15-16)18-6-2-5-14/h7-8,10-11H,2-6,9,14H2,1H3.
What are the key properties of 5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.54, 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-methyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).