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

C14H17N5O3 — CID 171368862

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

5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368862) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 171368862
• Molecular Formula: C14H17N5O3
• Molecular Weight: 303.32 g/mol
• Exact Mass: 303.13
• IUPAC Name: 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
• SMILES: CC(C)COc1cc(C2CNC(=O)NC2=O)nn2ccnc12
• InChI: InChI=1S/C14H17N5O3/c1-8(2)7-22-11-5-10(18-19-4-3-15-12(11)19)9-6-16-14(21)17-13(9)20/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,20,21)
• InChIKey: GPPYQRPJKJLJOP-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.32
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368862) is 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC(C)COc1cc(C2CNC(=O)NC2=O)nn2ccnc12.

What is the InChIKey of 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?

The InChIKey is GPPYQRPJKJLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8(2)7-22-11-5-10(18-19-4-3-15-12(11)19)9-6-16-14(21)17-13(9)20/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,20,21).

What are the key properties of 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?

5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).