1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride

C11H17ClF3N5OS — CID 119727706

IUPAC1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCSC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5OS.ClH/c12-11(13,14)21-6-5-16-10(20)9-7-19(18-17-9)8-1-3-15-4-2-8;/h7-8,15H,1-6H2,(H,16,20);1H
InChIKeyCZXSLAMNEOIDHK-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.61
Rot. Bonds5

About 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119727706) has the molecular formula C11H17ClF3N5OS and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
PubChem CID119727706
Molecular FormulaC11H17ClF3N5OS
Molecular Weight359.81 g/mol
Exact Mass359.08
IUPAC Name1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCSC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5OS.ClH/c12-11(13,14)21-6-5-16-10(20)9-7-19(18-17-9)8-1-3-15-4-2-8;/h7-8,15H,1-6H2,(H,16,20);1H
InChIKeyCZXSLAMNEOIDHK-UHFFFAOYSA-N
XLogP1.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride (CID 119727706) is 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride is Cl.O=C(NCCSC(F)(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is CZXSLAMNEOIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS.ClH/c12-11(13,14)21-6-5-16-10(20)9-7-19(18-17-9)8-1-3-15-4-2-8;/h7-8,15H,1-6H2,(H,16,20);1H.
What are the key properties of 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 359.81 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119727706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).