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

C16H15N7OS — CID 86925304

IUPACN-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C16H15N7OS/c17-9-12-5-8-25-16(12)19-15(24)11-3-6-22(7-4-11)14-2-1-13-20-18-10-23(13)21-14/h1-2,5,8,10-11H,3-4,6-7H2,(H,19,24)
InChIKeyFOIIUFGDHRFFAJ-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.91
Rot. Bonds3

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

N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 86925304) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID86925304
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC NameN-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C16H15N7OS/c17-9-12-5-8-25-16(12)19-15(24)11-3-6-22(7-4-11)14-2-1-13-20-18-10-23(13)21-14/h1-2,5,8,10-11H,3-4,6-7H2,(H,19,24)
InChIKeyFOIIUFGDHRFFAJ-UHFFFAOYSA-N
XLogP1.91
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32869701
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55613145
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-(6-methylheptan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46577267
N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 86925304) is N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is N#Cc1ccsc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is FOIIUFGDHRFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c17-9-12-5-8-25-16(12)19-15(24)11-3-6-22(7-4-11)14-2-1-13-20-18-10-23(13)21-14/h1-2,5,8,10-11H,3-4,6-7H2,(H,19,24).
What are the key properties of N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86925304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).