6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C20H26N6 — CID 176506339

IUPAC6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NCC(c2ccccc2)N2CCCCC2)c2nncn2n1
InChIInChI=1S/C20H26N6/c1-2-17-13-18(20-23-22-15-26(20)24-17)21-14-19(16-9-5-3-6-10-16)25-11-7-4-8-12-25/h3,5-6,9-10,13,15,19,21H,2,4,7-8,11-12,14H2,1H3
InChIKeyCULPVHZWUZYMMG-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.33
Rot. Bonds6

About 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176506339) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176506339
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NCC(c2ccccc2)N2CCCCC2)c2nncn2n1
InChIInChI=1S/C20H26N6/c1-2-17-13-18(20-23-22-15-26(20)24-17)21-14-19(16-9-5-3-6-10-16)25-11-7-4-8-12-25/h3,5-6,9-10,13,15,19,21H,2,4,7-8,11-12,14H2,1H3
InChIKeyCULPVHZWUZYMMG-UHFFFAOYSA-N
XLogP3.33
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176500547
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97206560
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
CID 110452326
N-(2,3-dimethylphenyl)-2-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]acetamide
CID 176502712
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176500079
2-(3,5-diethylpyrazol-1-yl)-N-methyl-2-phenylethanamine
CID 82694866
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176506339) is 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CCc1cc(NCC(c2ccccc2)N2CCCCC2)c2nncn2n1.
What is the InChIKey of 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is CULPVHZWUZYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-2-17-13-18(20-23-22-15-26(20)24-17)21-14-19(16-9-5-3-6-10-16)25-11-7-4-8-12-25/h3,5-6,9-10,13,15,19,21H,2,4,7-8,11-12,14H2,1H3.
What are the key properties of 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 350.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176506339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).