7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

C12H14F3N3O2 — CID 171493077

IUPAC7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=c1[nH]nc2c(c1C(F)(F)F)CCC2N1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18/h8H,1-6H2,(H,17,19)
InChIKeyXCOPIINPZAPQMR-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.11
Rot. Bonds1

About 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (PubChem CID 171493077) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
PubChem CID171493077
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=c1[nH]nc2c(c1C(F)(F)F)CCC2N1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18/h8H,1-6H2,(H,17,19)
InChIKeyXCOPIINPZAPQMR-UHFFFAOYSA-N
XLogP1.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)
CID 171493076
4-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N-pentyl-N-propylmorpholine-2-carboxamide
CID 171492848
4-(Trifluoromethyl)-7-(2,2,6-trimethylmorpholin-4-yl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493063
N-butyl-4-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N-propylmorpholine-2-carboxamide
CID 171493136
7-(1,2,4-Oxathiazinan-4-yl)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493180

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The IUPAC name of 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (CID 171493077) is 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The canonical SMILES for 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is O=c1[nH]nc2c(c1C(F)(F)F)CCC2N1CCOCC1.
What is the InChIKey of 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The InChIKey is XCOPIINPZAPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18/h8H,1-6H2,(H,17,19).
What are the key properties of 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one has a molecular weight of 289.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171493077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).