N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C18H22N6OS — CID 38005375

IUPACN-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H22N6OS/c1-2-22(12-15-4-3-11-26-15)18(25)14-7-9-23(10-8-14)17-6-5-16-20-19-13-24(16)21-17/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyKBEBRVHBRXTDLZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 38005375) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID38005375
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H22N6OS/c1-2-22(12-15-4-3-11-26-15)18(25)14-7-9-23(10-8-14)17-6-5-16-20-19-13-24(16)21-17/h3-6,11,13-14H,2,7-10,12H2,1H3
InChIKeyKBEBRVHBRXTDLZ-UHFFFAOYSA-N
XLogP2.45
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78856198
N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35440107
N-[(4-chlorophenyl)methyl]-N-pentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78851941
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 112827867
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24581332
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 119653759
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55628888
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55613145
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 38005375) is N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is CCN(Cc1cccs1)C(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is KBEBRVHBRXTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-2-22(12-15-4-3-11-26-15)18(25)14-7-9-23(10-8-14)17-6-5-16-20-19-13-24(16)21-17/h3-6,11,13-14H,2,7-10,12H2,1H3.
What are the key properties of N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 38005375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).