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

C12H14N6O4 — CID 972407

IUPAC3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
SMILESCOc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H14N6O4/c1-20-11-13-10(18-4-6-21-7-5-18)14-12(15-11)22-9-3-2-8(19)16-17-9/h2-3H,4-7H2,1H3,(H,16,19)
InChIKeyRAVQCMLXRGYPDX-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.41
Rot. Bonds4

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

3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one (PubChem CID 972407) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
PubChem CID972407
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
SMILESCOc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H14N6O4/c1-20-11-13-10(18-4-6-21-7-5-18)14-12(15-11)22-9-3-2-8(19)16-17-9/h2-3H,4-7H2,1H3,(H,16,19)
InChIKeyRAVQCMLXRGYPDX-UHFFFAOYSA-N
XLogP-0.41
TPSA115.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one (CID 972407) is 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one is COc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The InChIKey is RAVQCMLXRGYPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c1-20-11-13-10(18-4-6-21-7-5-18)14-12(15-11)22-9-3-2-8(19)16-17-9/h2-3H,4-7H2,1H3,(H,16,19).
What are the key properties of 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one has a molecular weight of 306.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 972407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).