N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

C18H23ClF3N5O — CID 119592024

IUPACN-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C1CCCCC1
InChIInChI=1S/C18H22F3N5O.ClH/c19-18(20,21)13-8-4-5-9-16(13)26-11-15(24-25-26)17(27)23-14(10-22)12-6-2-1-3-7-12;/h4-5,8-9,11-12,14H,1-3,6-7,10,22H2,(H,23,27);1H
InChIKeyIIHRVBMTWHJKCE-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119592024) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119592024
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C1CCCCC1
InChIInChI=1S/C18H22F3N5O.ClH/c19-18(20,21)13-8-4-5-9-16(13)26-11-15(24-25-26)17(27)23-14(10-22)12-6-2-1-3-7-12;/h4-5,8-9,11-12,14H,1-3,6-7,10,22H2,(H,23,27);1H
InChIKeyIIHRVBMTWHJKCE-UHFFFAOYSA-N
XLogP3.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride 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-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119605119
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)triazole-4-carboxamide;hydrochloride
CID 119591325
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(piperidin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119464473
2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
CID 166325521
N-(2-methylpiperidin-4-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 120599354
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43063990
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886976

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119592024) is N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is IIHRVBMTWHJKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.ClH/c19-18(20,21)13-8-4-5-9-16(13)26-11-15(24-25-26)17(27)23-14(10-22)12-6-2-1-3-7-12;/h4-5,8-9,11-12,14H,1-3,6-7,10,22H2,(H,23,27);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 417.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119592024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).