(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane

C13H19N3O3 — CID 164638465

IUPAC(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCOC[C@@]23CCOC3)nn1
InChIInChI=1S/C13H19N3O3/c1-17-12-3-2-11(14-15-12)8-16-5-7-19-10-13(16)4-6-18-9-13/h2-3H,4-10H2,1H3/t13-/m0/s1
InChIKeyCODYOHVYCSYORP-ZDUSSCGKSA-N
MW265.31 g/mol
LogP0.48
Rot. Bonds3

About (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane

(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 164638465) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID164638465
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCOC[C@@]23CCOC3)nn1
InChIInChI=1S/C13H19N3O3/c1-17-12-3-2-11(14-15-12)8-16-5-7-19-10-13(16)4-6-18-9-13/h2-3H,4-10H2,1H3/t13-/m0/s1
InChIKeyCODYOHVYCSYORP-ZDUSSCGKSA-N
XLogP0.48
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane (CID 164638465) is (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane is COc1ccc(CN2CCOC[C@@]23CCOC3)nn1.
What is the InChIKey of (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is CODYOHVYCSYORP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-17-12-3-2-11(14-15-12)8-16-5-7-19-10-13(16)4-6-18-9-13/h2-3H,4-10H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
(5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane has a molecular weight of 265.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-[(6-methoxypyridazin-3-yl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 164638465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).