1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide

C19H16F3N5O3 — CID 1265414

IUPAC1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F
InChIInChI=1S/C19H16F3N5O3/c1-30-14-10-6-5-9-13(14)23-17(28)15-16(24-18(29)19(20,21)22)27(26-25-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,23,28)(H,24,29)
InChIKeyRCMLFFCNAARCCW-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.09
Rot. Bonds6

About 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide

1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide (PubChem CID 1265414) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
PubChem CID1265414
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F
InChIInChI=1S/C19H16F3N5O3/c1-30-14-10-6-5-9-13(14)23-17(28)15-16(24-18(29)19(20,21)22)27(26-25-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,23,28)(H,24,29)
InChIKeyRCMLFFCNAARCCW-UHFFFAOYSA-N
XLogP3.09
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]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-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 2135890
5-amino-N-(3-methoxyphenyl)-1-phenethyl-triazole-4-carboxamide
CID 5309881
5-amino-1-{2-[(2-methoxyphenyl)amino]-2-oxoethyl}-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 2134291
5-amino-1-(3-methoxybenzyl)-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 2135887
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 2135888
5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135896
5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135897
5-amino-1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-N-(2-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237012
5-amino-1-{2-[(2-ethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237666
5-amino-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3241488
5-amino-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3243247
5-Amino-N-(4-ethoxyphenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 3243751

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide (CID 1265414) is 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide is COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F.
What is the InChIKey of 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide?
The InChIKey is RCMLFFCNAARCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-30-14-10-6-5-9-13(14)23-17(28)15-16(24-18(29)19(20,21)22)27(26-25-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide?
1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxyphenyl)-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide is sourced from PubChem (CID 1265414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).