N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

C16H19ClF3N5O — CID 119605119

IUPACN-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H18F3N5O.ClH/c17-16(18,19)11-5-1-2-7-14(11)24-9-13(22-23-24)15(25)21-12-6-3-4-10(12)8-20;/h1-2,5,7,9-10,12H,3-4,6,8,20H2,(H,21,25);1H
InChIKeyFZHUGJKOYMCNDG-UHFFFAOYSA-N
MW389.81 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119605119) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119605119
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H18F3N5O.ClH/c17-16(18,19)11-5-1-2-7-14(11)24-9-13(22-23-24)15(25)21-12-6-3-4-10(12)8-20;/h1-2,5,7,9-10,12H,3-4,6,8,20H2,(H,21,25);1H
InChIKeyFZHUGJKOYMCNDG-UHFFFAOYSA-N
XLogP2.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119592024
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
CID 119604139
N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 120599354
N-(piperidin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119464473
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112820335
1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 75445547
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43062908
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119610471

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119605119) is N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is FZHUGJKOYMCNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O.ClH/c17-16(18,19)11-5-1-2-7-14(11)24-9-13(22-23-24)15(25)21-12-6-3-4-10(12)8-20;/h1-2,5,7,9-10,12H,3-4,6,8,20H2,(H,21,25);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 389.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119605119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).