4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H12F3N3O3 — CID 167173486

IUPAC4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2CO)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)8-7(3-14-15-9(8)18)16-1-2-19-5-6(16)4-17/h3,6,17H,1-2,4-5H2,(H,15,18)
InChIKeyWXVWMRBDHOYLPN-UHFFFAOYSA-N
MW279.22 g/mol
LogP-0.01
Rot. Bonds2

About 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 167173486) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID167173486
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2CO)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)8-7(3-14-15-9(8)18)16-1-2-19-5-6(16)4-17/h3,6,17H,1-2,4-5H2,(H,15,18)
InChIKeyWXVWMRBDHOYLPN-UHFFFAOYSA-N
XLogP-0.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 167173486) is 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOCC2CO)c1C(F)(F)F.
What is the InChIKey of 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is WXVWMRBDHOYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)8-7(3-14-15-9(8)18)16-1-2-19-5-6(16)4-17/h3,6,17H,1-2,4-5H2,(H,15,18).
What are the key properties of 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 279.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)morpholin-4-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 167173486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).