5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

C14H21N3O2 — CID 103218418

IUPAC5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1
InChIInChI=1S/C14H21N3O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10,15H2
InChIKeyDFMORTALUMRWAI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one

5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (PubChem CID 103218418) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
PubChem CID103218418
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1
InChIInChI=1S/C14H21N3O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10,15H2
InChIKeyDFMORTALUMRWAI-UHFFFAOYSA-N
XLogP1.71
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one (CID 103218418) is 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is Nc1cnn(CC2CCC3(CCCCC3)O2)c(=O)c1.
What is the InChIKey of 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
The InChIKey is DFMORTALUMRWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-8-13(18)17(16-9-11)10-12-4-7-14(19-12)5-2-1-3-6-14/h8-9,12H,1-7,10,15H2.
What are the key properties of 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one?
5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).