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

C14H14F2N6O2 — CID 171368626

IUPAC5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CC(C(F)F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C14H14F2N6O2/c15-11(16)7-5-21(6-7)10-3-9(20-22-2-1-17-12(10)22)8-4-18-14(24)19-13(8)23/h1-3,7-8,11H,4-6H2,(H2,18,19,23,24)
InChIKeyZQRYCCFCECOBQM-UHFFFAOYSA-N
MW336.30 g/mol
LogP0.35
Rot. Bonds3

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

5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368626) has the molecular formula C14H14F2N6O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368626
Molecular FormulaC14H14F2N6O2
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC Name5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CC(C(F)F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C14H14F2N6O2/c15-11(16)7-5-21(6-7)10-3-9(20-22-2-1-17-12(10)22)8-4-18-14(24)19-13(8)23/h1-3,7-8,11H,4-6H2,(H2,18,19,23,24)
InChIKeyZQRYCCFCECOBQM-UHFFFAOYSA-N
XLogP0.35
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368626) is 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(N3CC(C(F)F)C3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZQRYCCFCECOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O2/c15-11(16)7-5-21(6-7)10-3-9(20-22-2-1-17-12(10)22)8-4-18-14(24)19-13(8)23/h1-3,7-8,11H,4-6H2,(H2,18,19,23,24).
What are the key properties of 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 336.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).