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

C15H21N7O3 — CID 934828

IUPAC3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCN(CC)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-3-21(4-2)13-16-14(22-7-9-24-10-8-22)18-15(17-13)25-12-6-5-11(23)19-20-12/h5-6H,3-4,7-10H2,1-2H3,(H,19,23)
InChIKeyHCUUAQFDYFZIGK-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.43
Rot. Bonds6

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

3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 934828) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID934828
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCN(CC)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-3-21(4-2)13-16-14(22-7-9-24-10-8-22)18-15(17-13)25-12-6-5-11(23)19-20-12/h5-6H,3-4,7-10H2,1-2H3,(H,19,23)
InChIKeyHCUUAQFDYFZIGK-UHFFFAOYSA-N
XLogP0.43
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 934828) is 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CCN(CC)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is HCUUAQFDYFZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-3-21(4-2)13-16-14(22-7-9-24-10-8-22)18-15(17-13)25-12-6-5-11(23)19-20-12/h5-6H,3-4,7-10H2,1-2H3,(H,19,23).
What are the key properties of 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 347.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 934828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).