3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine

C15H13Cl2F3N4 — CID 121478261

IUPAC3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine
SMILESCC(c1cc(Cl)ccc1C(F)(F)F)N1CCNc2nnc(Cl)cc21
InChIInChI=1S/C15H13Cl2F3N4/c1-8(10-6-9(16)2-3-11(10)15(18,19)20)24-5-4-21-14-12(24)7-13(17)22-23-14/h2-3,6-8H,4-5H2,1H3,(H,21,23)
InChIKeyRXQSPJPEUMPCGN-UHFFFAOYSA-N
MW377.20 g/mol
LogP4.80
Rot. Bonds2

About 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine

3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine (PubChem CID 121478261) has the molecular formula C15H13Cl2F3N4 and a molecular weight of 377.20 g/mol. Its IUPAC name is 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine
PubChem CID121478261
Molecular FormulaC15H13Cl2F3N4
Molecular Weight377.20 g/mol
Exact Mass376.05
IUPAC Name3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine
SMILESCC(c1cc(Cl)ccc1C(F)(F)F)N1CCNc2nnc(Cl)cc21
InChIInChI=1S/C15H13Cl2F3N4/c1-8(10-6-9(16)2-3-11(10)15(18,19)20)24-5-4-21-14-12(24)7-13(17)22-23-14/h2-3,6-8H,4-5H2,1H3,(H,21,23)
InChIKeyRXQSPJPEUMPCGN-UHFFFAOYSA-N
XLogP4.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine?
The IUPAC name of 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine (CID 121478261) is 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine.
What is the SMILES notation for 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine?
The canonical SMILES for 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine is CC(c1cc(Cl)ccc1C(F)(F)F)N1CCNc2nnc(Cl)cc21.
What is the InChIKey of 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine?
The InChIKey is RXQSPJPEUMPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N4/c1-8(10-6-9(16)2-3-11(10)15(18,19)20)24-5-4-21-14-12(24)7-13(17)22-23-14/h2-3,6-8H,4-5H2,1H3,(H,21,23).
What are the key properties of 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine?
3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine has a molecular weight of 377.20 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazine is sourced from PubChem (CID 121478261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).