5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C14H14F3N5O2 — CID 171362438

IUPAC5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1cc(C2CNC(=O)NC2=O)nn2cc(C(F)(F)F)nc12
InChIInChI=1S/C14H14F3N5O2/c1-6(2)7-3-9(8-4-18-13(24)20-12(8)23)21-22-5-10(14(15,16)17)19-11(7)22/h3,5-6,8H,4H2,1-2H3,(H2,18,20,23,24)
InChIKeyJQJLSRHTADYUOM-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.79
Rot. Bonds2

About 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171362438) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171362438
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1cc(C2CNC(=O)NC2=O)nn2cc(C(F)(F)F)nc12
InChIInChI=1S/C14H14F3N5O2/c1-6(2)7-3-9(8-4-18-13(24)20-12(8)23)21-22-5-10(14(15,16)17)19-11(7)22/h3,5-6,8H,4H2,1-2H3,(H2,18,20,23,24)
InChIKeyJQJLSRHTADYUOM-UHFFFAOYSA-N
XLogP1.79
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171362438) is 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC(C)c1cc(C2CNC(=O)NC2=O)nn2cc(C(F)(F)F)nc12.
What is the InChIKey of 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is JQJLSRHTADYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-6(2)7-3-9(8-4-18-13(24)20-12(8)23)21-22-5-10(14(15,16)17)19-11(7)22/h3,5-6,8H,4H2,1-2H3,(H2,18,20,23,24).
What are the key properties of 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 341.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171362438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).