9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C20H24N8O5 — CID 121315943

About 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 121315943) has the molecular formula C20H24N8O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

• Compound Name: 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
• PubChem CID: 121315943
• Molecular Formula: C20H24N8O5
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.19
• IUPAC Name: 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
• SMILES: CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)COC1=O
• InChI: InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3
• InChIKey: OJNVZFGKXUEICD-UHFFFAOYSA-N
• XLogP: -0.99
• TPSA: 148.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?

The IUPAC name of 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 121315943) is 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

What is the SMILES notation for 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?

The canonical SMILES for 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is CC1=C(N2CCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)COC1=O.

What is the InChIKey of 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?

The InChIKey is OJNVZFGKXUEICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3.

What are the key properties of 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?

9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 456.46 g/mol, XLogP of -0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 121315943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).