5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide

C19H20ClN5O — CID 7385971

IUPAC5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C19H20ClN5O/c1-12(2)14-5-9-16(10-6-14)22-19(26)17-18(21)25(24-23-17)11-13-3-7-15(20)8-4-13/h3-10,12H,11,21H2,1-2H3,(H,22,26)
InChIKeyOOJKOVXQCHVACU-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.94
Rot. Bonds5

About 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide

5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 7385971) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID7385971
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C19H20ClN5O/c1-12(2)14-5-9-16(10-6-14)22-19(26)17-18(21)25(24-23-17)11-13-3-7-15(20)8-4-13/h3-10,12H,11,21H2,1-2H3,(H,22,26)
InChIKeyOOJKOVXQCHVACU-UHFFFAOYSA-N
XLogP3.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide 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

5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)triazole-4-carboxamide
CID 7385969
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 7386062
5-amino-N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 20862542
5-amino-N-(4-bromophenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide
CID 20862629
5-amino-1-[(4-chlorophenyl)methyl]-N-(2,5-difluorophenyl)triazole-4-carboxamide
CID 7385962
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 2134328
5-amino-1-[(4-chlorophenyl)methyl]triazole-4-carboxylic acid
CID 46948721
5-amino-1-[(4-methoxyphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 1263588
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
5-amino-1-benzyl-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927803
5-amino-N-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20862642
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 7385971) is 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is OOJKOVXQCHVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12(2)14-5-9-16(10-6-14)22-19(26)17-18(21)25(24-23-17)11-13-3-7-15(20)8-4-13/h3-10,12H,11,21H2,1-2H3,(H,22,26).
What are the key properties of 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7385971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).