5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one

C15H26N4O2 — CID 114397515

IUPAC5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
SMILESCC(C)NCCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-13(2)16-5-3-4-6-19-15(20)11-14(12-17-19)18-7-9-21-10-8-18/h11-13,16H,3-10H2,1-2H3
InChIKeyOTMJJVGSTLKHSG-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.86
Rot. Bonds7

About 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one

5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one (PubChem CID 114397515) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
PubChem CID114397515
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
SMILESCC(C)NCCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-13(2)16-5-3-4-6-19-15(20)11-14(12-17-19)18-7-9-21-10-8-18/h11-13,16H,3-10H2,1-2H3
InChIKeyOTMJJVGSTLKHSG-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.86
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-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one (CID 114397515) is 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one is CC(C)NCCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one?
The InChIKey is OTMJJVGSTLKHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-13(2)16-5-3-4-6-19-15(20)11-14(12-17-19)18-7-9-21-10-8-18/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one?
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 114397515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).