3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane

C19H30N4O — CID 97450437

IUPAC3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)CCN(C2CCOCC2)CC3)nn1
InChIInChI=1S/C19H30N4O/c1-16-2-3-18(21-20-16)23-12-8-19(9-13-23)6-10-22(11-7-19)17-4-14-24-15-5-17/h2-3,17H,4-15H2,1H3
InChIKeyNMYATZQPTOQGRU-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.65
Rot. Bonds2

About 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane

3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 97450437) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID97450437
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)CCN(C2CCOCC2)CC3)nn1
InChIInChI=1S/C19H30N4O/c1-16-2-3-18(21-20-16)23-12-8-19(9-13-23)6-10-22(11-7-19)17-4-14-24-15-5-17/h2-3,17H,4-15H2,1H3
InChIKeyNMYATZQPTOQGRU-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.65
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-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane (CID 97450437) is 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCC3(CC2)CCN(C2CCOCC2)CC3)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is NMYATZQPTOQGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-2-3-18(21-20-16)23-12-8-19(9-13-23)6-10-22(11-7-19)17-4-14-24-15-5-17/h2-3,17H,4-15H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane?
3-(6-methylpyridazin-3-yl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 330.48 g/mol, XLogP of 2.65, 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-(oxan-4-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).