5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one

C14H24N4O2 — CID 114394656

IUPAC5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-2-4-15-5-3-6-18-14(19)11-13(12-16-18)17-7-9-20-10-8-17/h11-12,15H,2-10H2,1H3
InChIKeyYTEPXFQUIJIBCL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.47
Rot. Bonds7

About 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one

5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one (PubChem CID 114394656) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
PubChem CID114394656
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-2-4-15-5-3-6-18-14(19)11-13(12-16-18)17-7-9-20-10-8-17/h11-12,15H,2-10H2,1H3
InChIKeyYTEPXFQUIJIBCL-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.47
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-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-[2-(azetidin-3-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 107391429

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one (CID 114394656) is 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one is CCCNCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one?
The InChIKey is YTEPXFQUIJIBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-4-15-5-3-6-18-14(19)11-13(12-16-18)17-7-9-20-10-8-17/h11-12,15H,2-10H2,1H3.
What are the key properties of 5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one?
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.47, 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-[3-(propylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114394656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).