2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one

C17H29N3O3 — CID 10087572

IUPAC2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
SMILESCCCCCCn1nc(OCCC)c(N2CCOCC2)cc1=O
InChIInChI=1S/C17H29N3O3/c1-3-5-6-7-8-20-16(21)14-15(17(18-20)23-11-4-2)19-9-12-22-13-10-19/h14H,3-13H2,1-2H3
InChIKeyNIUAXISSZIVUDQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.45
Rot. Bonds9

About 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one

2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one (PubChem CID 10087572) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one.

Molecular Properties

Compound Name2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
PubChem CID10087572
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
SMILESCCCCCCn1nc(OCCC)c(N2CCOCC2)cc1=O
InChIInChI=1S/C17H29N3O3/c1-3-5-6-7-8-20-16(21)14-15(17(18-20)23-11-4-2)19-9-12-22-13-10-19/h14H,3-13H2,1-2H3
InChIKeyNIUAXISSZIVUDQ-UHFFFAOYSA-N
XLogP2.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one?
The IUPAC name of 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one (CID 10087572) is 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one.
What is the SMILES notation for 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one?
The canonical SMILES for 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one is CCCCCCn1nc(OCCC)c(N2CCOCC2)cc1=O.
What is the InChIKey of 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one?
The InChIKey is NIUAXISSZIVUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-5-6-7-8-20-16(21)14-15(17(18-20)23-11-4-2)19-9-12-22-13-10-19/h14H,3-13H2,1-2H3.
What are the key properties of 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one?
2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one has a molecular weight of 323.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-morpholin-4-yl-6-propoxypyridazin-3-one is sourced from PubChem (CID 10087572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).