N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide

C23H24N8O2 — CID 121028020

IUPACN-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C23H24N8O2/c32-23(18-9-10-19(26-25-18)30-14-5-2-6-15-30)24-13-16-33-21-12-11-20-27-28-22(31(20)29-21)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,32)
InChIKeyHMZAYRIOKKZBHG-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.38
Rot. Bonds7

About N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide

N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121028020) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121028020
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C23H24N8O2/c32-23(18-9-10-19(26-25-18)30-14-5-2-6-15-30)24-13-16-33-21-12-11-20-27-28-22(31(20)29-21)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,32)
InChIKeyHMZAYRIOKKZBHG-UHFFFAOYSA-N
XLogP2.38
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121028020) is N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HMZAYRIOKKZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c32-23(18-9-10-19(26-25-18)30-14-5-2-6-15-30)24-13-16-33-21-12-11-20-27-28-22(31(20)29-21)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,32).
What are the key properties of N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).