5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

C10H17N3O3 — CID 104920952

IUPAC5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H17N3O3/c1-12(2)8-4-10(15)13(11-5-8)6-9(14)7-16-3/h4-5,9,14H,6-7H2,1-3H3
InChIKeyXBNYJMYAGTXNRP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.68
Rot. Bonds5

About 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (PubChem CID 104920952) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
PubChem CID104920952
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H17N3O3/c1-12(2)8-4-10(15)13(11-5-8)6-9(14)7-16-3/h4-5,9,14H,6-7H2,1-3H3
InChIKeyXBNYJMYAGTXNRP-UHFFFAOYSA-N
XLogP-0.68
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (CID 104920952) is 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is COCC(O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The InChIKey is XBNYJMYAGTXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12(2)8-4-10(15)13(11-5-8)6-9(14)7-16-3/h4-5,9,14H,6-7H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 104920952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).