6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one

C10H15N3O3 — CID 126857374

IUPAC6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(C2COCC2O)n1
InChIInChI=1S/C10H15N3O3/c1-12(2)9-3-4-10(15)13(11-9)7-5-16-6-8(7)14/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyIOJSKPAOPHXAMN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.76
Rot. Bonds2

About 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one

6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one (PubChem CID 126857374) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one
PubChem CID126857374
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(C2COCC2O)n1
InChIInChI=1S/C10H15N3O3/c1-12(2)9-3-4-10(15)13(11-9)7-5-16-6-8(7)14/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyIOJSKPAOPHXAMN-UHFFFAOYSA-N
XLogP-0.76
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one?
The IUPAC name of 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one (CID 126857374) is 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one is CN(C)c1ccc(=O)n(C2COCC2O)n1.
What is the InChIKey of 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one?
The InChIKey is IOJSKPAOPHXAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(2)9-3-4-10(15)13(11-9)7-5-16-6-8(7)14/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one?
6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one has a molecular weight of 225.25 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 126857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).