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

C14H19N7O3 — CID 663994

IUPAC6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O3/c1-19(2)12-15-13(21-6-8-23-9-7-21)17-14(16-12)24-10-4-5-11(22)20(3)18-10/h4-5H,6-9H2,1-3H3
InChIKeyVNZFVDHFOHOQFA-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.34
Rot. Bonds4

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

6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (PubChem CID 663994) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
PubChem CID663994
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
SMILESCN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O3/c1-19(2)12-15-13(21-6-8-23-9-7-21)17-14(16-12)24-10-4-5-11(22)20(3)18-10/h4-5H,6-9H2,1-3H3
InChIKeyVNZFVDHFOHOQFA-UHFFFAOYSA-N
XLogP-0.34
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one with MolForge

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Related Compounds

6-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-YL]oxy}-2-propyl-3(2H)-pyridazinone
CID 671565
6-{[4-(Dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 945843
3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
CID 972407
6-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-2-methylpyridazin-3(2H)-one
CID 1520090
6-[[4-(Dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one
CID 892863
2-Methyl-6-{[4-(methylamino)-6-(morpholin-4-YL)-1,3,5-triazin-2-YL]oxy}-2,3-dihydropyridazin-3-one
CID 1520085
6-{[4-(isobutylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy}-2-methylpyridazin-3(2H)-one
CID 1520092
6-{[4-(Ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 977155
6-{[4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy}pyridazin-3-ol
CID 3403512
6-{[4-(Isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}-3-pyridazinol
CID 970003
6-{[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy}-2-methylpyridazin-3(2H)-one
CID 1520087
3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
CID 1266549

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one (CID 663994) is 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
The InChIKey is VNZFVDHFOHOQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c1-19(2)12-15-13(21-6-8-23-9-7-21)17-14(16-12)24-10-4-5-11(22)20(3)18-10/h4-5H,6-9H2,1-3H3.
What are the key properties of 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one?
6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one has a molecular weight of 333.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 663994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).