2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one

C14H23N3O3 — CID 3052628

IUPAC2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one
SMILESCCCCCOc1c(N2CCOCC2)cnn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-4-5-8-20-13-12(11-15-16(2)14(13)18)17-6-9-19-10-7-17/h11H,3-10H2,1-2H3
InChIKeyIVWGULGPHCVFES-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.19
Rot. Bonds6

About 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one

2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one (PubChem CID 3052628) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one
PubChem CID3052628
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one
SMILESCCCCCOc1c(N2CCOCC2)cnn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-4-5-8-20-13-12(11-15-16(2)14(13)18)17-6-9-19-10-7-17/h11H,3-10H2,1-2H3
InChIKeyIVWGULGPHCVFES-UHFFFAOYSA-N
XLogP1.19
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.19
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-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one?
The IUPAC name of 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one (CID 3052628) is 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one is CCCCCOc1c(N2CCOCC2)cnn(C)c1=O.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one?
The InChIKey is IVWGULGPHCVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-4-5-8-20-13-12(11-15-16(2)14(13)18)17-6-9-19-10-7-17/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one?
2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one is sourced from PubChem (CID 3052628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).