7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)

C12H13F3N3O2Rb — CID 171493076

IUPAC7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)
SMILESO=c1[nH]nc2c(c1C(F)(F)F)CCC2N1C[CH-]OCC1.[Rb+]
InChIInChI=1S/C12H13F3N3O2.Rb/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18;/h5,8H,1-4,6H2,(H,17,19);/q-1;+1
InChIKeyCMOAUFYHEDRQOJ-UHFFFAOYSA-N
MW373.72 g/mol
LogP-1.73
Rot. Bonds1

About 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)

7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) (PubChem CID 171493076) has the molecular formula C12H13F3N3O2Rb and a molecular weight of 373.72 g/mol. Its IUPAC name is 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+).

Molecular Properties

Compound Name7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)
PubChem CID171493076
Molecular FormulaC12H13F3N3O2Rb
Molecular Weight373.72 g/mol
Exact Mass373.01
IUPAC Name7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)
SMILESO=c1[nH]nc2c(c1C(F)(F)F)CCC2N1C[CH-]OCC1.[Rb+]
InChIInChI=1S/C12H13F3N3O2.Rb/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18;/h5,8H,1-4,6H2,(H,17,19);/q-1;+1
InChIKeyCMOAUFYHEDRQOJ-UHFFFAOYSA-N
XLogP-1.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) with MolForge

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Related Compounds

7-Morpholin-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493077
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-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)?
The IUPAC name of 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) (CID 171493076) is 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+).
What is the SMILES notation for 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)?
The canonical SMILES for 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) is O=c1[nH]nc2c(c1C(F)(F)F)CCC2N1C[CH-]OCC1.[Rb+].
What is the InChIKey of 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)?
The InChIKey is CMOAUFYHEDRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N3O2.Rb/c13-12(14,15)9-7-1-2-8(10(7)16-17-11(9)19)18-3-5-20-6-4-18;/h5,8H,1-4,6H2,(H,17,19);/q-1;+1.
What are the key properties of 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+)?
7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) has a molecular weight of 373.72 g/mol, XLogP of -1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-6-id-4-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;rubidium(1+) is sourced from PubChem (CID 171493076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).