5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide

C18H18ClN5O — CID 7386108

IUPAC5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c1
InChIInChI=1S/C18H18ClN5O/c1-2-12-6-5-8-14(10-12)21-18(25)16-17(20)24(23-22-16)11-13-7-3-4-9-15(13)19/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyJSBHEZZFJBLCEG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.38
Rot. Bonds5

About 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide

5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide (PubChem CID 7386108) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
PubChem CID7386108
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c1
InChIInChI=1S/C18H18ClN5O/c1-2-12-6-5-8-14(10-12)21-18(25)16-17(20)24(23-22-16)11-13-7-3-4-9-15(13)19/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyJSBHEZZFJBLCEG-UHFFFAOYSA-N
XLogP3.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)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-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 7386091
5-amino-1-[(3-bromophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
CID 7386131
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 7386062
5-amino-1-benzyl-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385903
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
5-amino-N-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386138
5-amino-1-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide
CID 7386065
5-amino-1-benzyl-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927803
5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 7386220
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 2134328
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
CID 50927865
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide (CID 7386108) is 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide is CCc1cccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)c1.
What is the InChIKey of 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide?
The InChIKey is JSBHEZZFJBLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-2-12-6-5-8-14(10-12)21-18(25)16-17(20)24(23-22-16)11-13-7-3-4-9-15(13)19/h3-10H,2,11,20H2,1H3,(H,21,25).
What are the key properties of 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide?
5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7386108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).