5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

C14H23N3O4 — CID 104920960

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H23N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7,12,18H,4-5,8-10H2,1-3H3
InChIKeyDNXMKSRZOGPEAK-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.13
Rot. Bonds5

About 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (PubChem CID 104920960) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
PubChem CID104920960
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H23N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7,12,18H,4-5,8-10H2,1-3H3
InChIKeyDNXMKSRZOGPEAK-UHFFFAOYSA-N
XLogP-0.13
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (CID 104920960) is 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is COCC(O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The InChIKey is DNXMKSRZOGPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7,12,18H,4-5,8-10H2,1-3H3.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 104920960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).