5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione

C13H11N7O2 — CID 171362434

IUPAC5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(-n3ccnc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C13H11N7O2/c21-12-8(6-16-13(22)17-12)9-5-10(19-3-1-14-7-19)11-15-2-4-20(11)18-9/h1-5,7-8H,6H2,(H2,16,17,21,22)
InChIKeyWVDZYCHIYDPXEF-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.16
Rot. Bonds2

About 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione

5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione (PubChem CID 171362434) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione
PubChem CID171362434
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(-n3ccnc3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C13H11N7O2/c21-12-8(6-16-13(22)17-12)9-5-10(19-3-1-14-7-19)11-15-2-4-20(11)18-9/h1-5,7-8H,6H2,(H2,16,17,21,22)
InChIKeyWVDZYCHIYDPXEF-UHFFFAOYSA-N
XLogP-0.16
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368626
5-[8-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368473
5-[8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368368
5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368859
5-[8-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368442
5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368862
5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368321
5-[8-[(1S,2S)-2-(2,3,4-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368686
5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368706
5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171362427
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368840
5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368319

Frequently Asked Questions

What is the IUPAC name of 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione (CID 171362434) is 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(-n3ccnc3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione?
The InChIKey is WVDZYCHIYDPXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c21-12-8(6-16-13(22)17-12)9-5-10(19-3-1-14-7-19)11-15-2-4-20(11)18-9/h1-5,7-8H,6H2,(H2,16,17,21,22).
What are the key properties of 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione?
5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione has a molecular weight of 297.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171362434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).