2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one

C14H23N3O3 — CID 107705269

IUPAC2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCCCCCO
InChIInChI=1S/C14H23N3O3/c18-8-4-2-1-3-5-17-14(19)11-13(12-15-17)16-6-9-20-10-7-16/h11-12,18H,1-10H2
InChIKeyBTLSBMBVKMKNMW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds7

About 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one

2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 107705269) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID107705269
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCCCCCO
InChIInChI=1S/C14H23N3O3/c18-8-4-2-1-3-5-17-14(19)11-13(12-15-17)16-6-9-20-10-7-16/h11-12,18H,1-10H2
InChIKeyBTLSBMBVKMKNMW-UHFFFAOYSA-N
XLogP0.63
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
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

5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
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-(2-oxopropyl)pyridazin-3-one
CID 1479795
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
2-(6-hydroxyhexyl)-5-iodopyridazin-3-one
CID 107706035
2-[2-(azetidin-3-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 107391429

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one (CID 107705269) is 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is BTLSBMBVKMKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-8-4-2-1-3-5-17-14(19)11-13(12-15-17)16-6-9-20-10-7-16/h11-12,18H,1-10H2.
What are the key properties of 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one?
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 107705269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).