5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide

C18H18ClN5O2 — CID 17014891

IUPAC5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H18ClN5O2/c1-2-26-15-9-7-14(8-10-15)24-17(20)16(22-23-24)18(25)21-11-12-3-5-13(19)6-4-12/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyHPXBNZPBHJZYRM-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.83
Rot. Bonds6

About 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide

5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide (PubChem CID 17014891) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
PubChem CID17014891
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H18ClN5O2/c1-2-26-15-9-7-14(8-10-15)24-17(20)16(22-23-24)18(25)21-11-12-3-5-13(19)6-4-12/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyHPXBNZPBHJZYRM-UHFFFAOYSA-N
XLogP2.83
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)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)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 27261708
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 122172046
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
5-amino-N-[(3-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 4081975
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide (CID 17014891) is 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide is CCOc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The InChIKey is HPXBNZPBHJZYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-2-26-15-9-7-14(8-10-15)24-17(20)16(22-23-24)18(25)21-11-12-3-5-13(19)6-4-12/h3-10H,2,11,20H2,1H3,(H,21,25).
What are the key properties of 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17014891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).