5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one

C13H21N3O2S — CID 114398871

IUPAC5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCCCCS
InChIInChI=1S/C13H21N3O2S/c17-13-10-12(15-5-7-18-8-6-15)11-14-16(13)4-2-1-3-9-19/h10-11,19H,1-9H2
InChIKeyTUKOEEDDPZZZKT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.18
Rot. Bonds6

About 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one

5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one (PubChem CID 114398871) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
PubChem CID114398871
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCCCCS
InChIInChI=1S/C13H21N3O2S/c17-13-10-12(15-5-7-18-8-6-15)11-14-16(13)4-2-1-3-9-19/h10-11,19H,1-9H2
InChIKeyTUKOEEDDPZZZKT-UHFFFAOYSA-N
XLogP1.18
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
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
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one (CID 114398871) is 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CCCCCS.
What is the InChIKey of 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one?
The InChIKey is TUKOEEDDPZZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-13-10-12(15-5-7-18-8-6-15)11-14-16(13)4-2-1-3-9-19/h10-11,19H,1-9H2.
What are the key properties of 5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one?
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one has a molecular weight of 283.40 g/mol, XLogP of 1.18, 6 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-(5-sulfanylpentyl)pyridazin-3-one is sourced from PubChem (CID 114398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).