2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one

C12H19N3O4 — CID 104920953

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H19N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyBCXJGDNAFDCESC-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.91
Rot. Bonds5

About 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 104920953) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID104920953
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H19N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyBCXJGDNAFDCESC-UHFFFAOYSA-N
XLogP-0.91
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one (CID 104920953) is 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one is COCC(O)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is BCXJGDNAFDCESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-2-4-19-5-3-14/h6-7,11,16H,2-5,8-9H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 269.30 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 104920953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).