3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane

C18H28N4O — CID 118742751

IUPAC3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)CCN(C2CCOC2)CC3)nn1
InChIInChI=1S/C18H28N4O/c1-15-2-3-17(20-19-15)22-11-7-18(8-12-22)5-9-21(10-6-18)16-4-13-23-14-16/h2-3,16H,4-14H2,1H3
InChIKeyOYSIANMZHIQLKA-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.26
Rot. Bonds2

About 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane

3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 118742751) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID118742751
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)CCN(C2CCOC2)CC3)nn1
InChIInChI=1S/C18H28N4O/c1-15-2-3-17(20-19-15)22-11-7-18(8-12-22)5-9-21(10-6-18)16-4-13-23-14-16/h2-3,16H,4-14H2,1H3
InChIKeyOYSIANMZHIQLKA-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane (CID 118742751) is 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCC3(CC2)CCN(C2CCOC2)CC3)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is OYSIANMZHIQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15-2-3-17(20-19-15)22-11-7-18(8-12-22)5-9-21(10-6-18)16-4-13-23-14-16/h2-3,16H,4-14H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane?
3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 316.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)-9-(oxolan-3-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118742751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).