3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C13H17N7O3 — CID 945843

IUPAC3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N7O3/c1-19(2)11-14-12(20-5-7-22-8-6-20)16-13(15-11)23-10-4-3-9(21)17-18-10/h3-4H,5-8H2,1-2H3,(H,17,21)
InChIKeyMLMAOKHLXUQOMZ-UHFFFAOYSA-N
MW319.33 g/mol
LogP-0.35
Rot. Bonds4

About 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 945843) has the molecular formula C13H17N7O3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID945843
Molecular FormulaC13H17N7O3
Molecular Weight319.33 g/mol
Exact Mass319.14
IUPAC Name3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N7O3/c1-19(2)11-14-12(20-5-7-22-8-6-20)16-13(15-11)23-10-4-3-9(21)17-18-10/h3-4H,5-8H2,1-2H3,(H,17,21)
InChIKeyMLMAOKHLXUQOMZ-UHFFFAOYSA-N
XLogP-0.35
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 945843) is 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is MLMAOKHLXUQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O3/c1-19(2)11-14-12(20-5-7-22-8-6-20)16-13(15-11)23-10-4-3-9(21)17-18-10/h3-4H,5-8H2,1-2H3,(H,17,21).
What are the key properties of 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 319.33 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 945843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).