5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one

C15H13ClF3N3O2 — CID 133449840

IUPAC5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1Cl
InChIInChI=1S/C15H13ClF3N3O2/c16-13-11(7-20-21-14(13)23)22-5-6-24-12(8-22)9-1-3-10(4-2-9)15(17,18)19/h1-4,7,12H,5-6,8H2,(H,21,23)
InChIKeyXEQPHFJXKBAKKP-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.02
Rot. Bonds2

About 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one

5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one (PubChem CID 133449840) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one
PubChem CID133449840
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Name5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1Cl
InChIInChI=1S/C15H13ClF3N3O2/c16-13-11(7-20-21-14(13)23)22-5-6-24-12(8-22)9-1-3-10(4-2-9)15(17,18)19/h1-4,7,12H,5-6,8H2,(H,21,23)
InChIKeyXEQPHFJXKBAKKP-UHFFFAOYSA-N
XLogP3.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one (CID 133449840) is 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one?
The InChIKey is XEQPHFJXKBAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c16-13-11(7-20-21-14(13)23)22-5-6-24-12(8-22)9-1-3-10(4-2-9)15(17,18)19/h1-4,7,12H,5-6,8H2,(H,21,23).
What are the key properties of 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one?
5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one has a molecular weight of 359.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 133449840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).