2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H25N3O3 — CID 106802613

IUPAC2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCC(O)CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H25N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyGCDKOWBNUUOFIO-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds9

About 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 106802613) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID106802613
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCC(O)CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C14H25N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyGCDKOWBNUUOFIO-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
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

Analyze 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 106802613) is 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is CCC(O)CCCn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is GCDKOWBNUUOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-13(18)6-5-7-17-14(19)10-12(11-15-17)16(2)8-9-20-3/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 283.37 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyhexyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 106802613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).