N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

C13H15ClF3N5O — CID 119500898

IUPACN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.Cl
InChIInChI=1S/C13H14F3N5O.ClH/c1-17-5-6-18-12(22)11-8-21(20-19-11)10-4-2-3-9(7-10)13(14,15)16;/h2-4,7-8,17H,5-6H2,1H3,(H,18,22);1H
InChIKeyLZWBXZPNNGCKGJ-UHFFFAOYSA-N
MW349.74 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride

N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119500898) has the molecular formula C13H15ClF3N5O and a molecular weight of 349.74 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119500898
Molecular FormulaC13H15ClF3N5O
Molecular Weight349.74 g/mol
Exact Mass349.09
IUPAC NameN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.Cl
InChIInChI=1S/C13H14F3N5O.ClH/c1-17-5-6-18-12(22)11-8-21(20-19-11)10-4-2-3-9(7-10)13(14,15)16;/h2-4,7-8,17H,5-6H2,1H3,(H,18,22);1H
InChIKeyLZWBXZPNNGCKGJ-UHFFFAOYSA-N
XLogP1.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(methylamino)ethyl]-1-[3-(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-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155958354
(E)-2-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]hex-4-enoic acid
CID 120692776
N-(2-amino-1-cyclohexylethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119589694
N-[ethyl(phenyl)sulfamoyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 155950022
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119653449
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119500898) is N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is CNCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is LZWBXZPNNGCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O.ClH/c1-17-5-6-18-12(22)11-8-21(20-19-11)10-4-2-3-9(7-10)13(14,15)16;/h2-4,7-8,17H,5-6H2,1H3,(H,18,22);1H.
What are the key properties of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 349.74 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119500898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).