N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride

C13H18ClN5O — CID 119405590

IUPACN-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)NCCCN)nn2)cc1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-10-3-5-11(6-4-10)18-9-12(16-17-18)13(19)15-8-2-7-14;/h3-6,9H,2,7-8,14H2,1H3,(H,15,19);1H
InChIKeyVAPODUYEODAMNT-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.08
Rot. Bonds5

About N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride

N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119405590) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119405590
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC NameN-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2cc(C(=O)NCCCN)nn2)cc1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-10-3-5-11(6-4-10)18-9-12(16-17-18)13(19)15-8-2-7-14;/h3-6,9H,2,7-8,14H2,1H3,(H,15,19);1H
InChIKeyVAPODUYEODAMNT-UHFFFAOYSA-N
XLogP1.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-1-(4-methylphenyl)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

1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
1-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]triazole-4-carboxamide
CID 86991560
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
CID 39040917
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
CID 86991505
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
CID 86991612

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride (CID 119405590) is N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride is Cc1ccc(-n2cc(C(=O)NCCCN)nn2)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is VAPODUYEODAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c1-10-3-5-11(6-4-10)18-9-12(16-17-18)13(19)15-8-2-7-14;/h3-6,9H,2,7-8,14H2,1H3,(H,15,19);1H.
What are the key properties of N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride?
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119405590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).