2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H25N3O3 — CID 107705276

IUPAC2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCCCCO)c(=O)c1
InChIInChI=1S/C14H25N3O3/c1-16(8-10-20-2)13-11-14(19)17(15-12-13)7-5-3-4-6-9-18/h11-12,18H,3-10H2,1-2H3
InChIKeyYRSDZFTWDLBBTE-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds10

About 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 107705276) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID107705276
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCCCCO)c(=O)c1
InChIInChI=1S/C14H25N3O3/c1-16(8-10-20-2)13-11-14(19)17(15-12-13)7-5-3-4-6-9-18/h11-12,18H,3-10H2,1-2H3
InChIKeyYRSDZFTWDLBBTE-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 107705276) is 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CCCCCCO)c(=O)c1.
What is the InChIKey of 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is YRSDZFTWDLBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16(8-10-20-2)13-11-14(19)17(15-12-13)7-5-3-4-6-9-18/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 283.37 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 107705276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).