3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide

C23H28N6O3 — CID 20957203

IUPAC3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)c1ccccc1
InChIInChI=1S/C23H28N6O3/c1-2-28(18-6-4-3-5-7-18)22(30)11-10-20-25-24-19-8-9-21(26-29(19)20)27-14-12-23(13-15-27)31-16-17-32-23/h3-9H,2,10-17H2,1H3
InChIKeyJJLJDBJJMABQOG-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.45
Rot. Bonds6

About 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide

3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide (PubChem CID 20957203) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide
PubChem CID20957203
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)c1ccccc1
InChIInChI=1S/C23H28N6O3/c1-2-28(18-6-4-3-5-7-18)22(30)11-10-20-25-24-19-8-9-21(26-29(19)20)27-14-12-23(13-15-27)31-16-17-32-23/h3-9H,2,10-17H2,1H3
InChIKeyJJLJDBJJMABQOG-UHFFFAOYSA-N
XLogP2.45
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide (CID 20957203) is 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12)c1ccccc1.
What is the InChIKey of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide?
The InChIKey is JJLJDBJJMABQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-2-28(18-6-4-3-5-7-18)22(30)11-10-20-25-24-19-8-9-21(26-29(19)20)27-14-12-23(13-15-27)31-16-17-32-23/h3-9H,2,10-17H2,1H3.
What are the key properties of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide?
3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide has a molecular weight of 436.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 20957203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).