5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C18H16F3N5O — CID 11689324

IUPAC5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N)c1ccccc1
InChIInChI=1S/C18H16F3N5O/c1-11(12-6-3-2-4-7-12)23-17(27)15-16(22)26(25-24-15)14-9-5-8-13(10-14)18(19,20)21/h2-11H,22H2,1H3,(H,23,27)/t11-/m0/s1
InChIKeyFMCMMNSMDUIWLQ-NSHDSACASA-N
MW375.35 g/mol
LogP3.36
Rot. Bonds4

About 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 11689324) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID11689324
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N)c1ccccc1
InChIInChI=1S/C18H16F3N5O/c1-11(12-6-3-2-4-7-12)23-17(27)15-16(22)26(25-24-15)14-9-5-8-13(10-14)18(19,20)21/h2-11H,22H2,1H3,(H,23,27)/t11-/m0/s1
InChIKeyFMCMMNSMDUIWLQ-NSHDSACASA-N
XLogP3.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]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-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
5-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 94940294
3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
CID 18270656

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 11689324) is 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is C[C@H](NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N)c1ccccc1.
What is the InChIKey of 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is FMCMMNSMDUIWLQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-11(12-6-3-2-4-7-12)23-17(27)15-16(22)26(25-24-15)14-9-5-8-13(10-14)18(19,20)21/h2-11H,22H2,1H3,(H,23,27)/t11-/m0/s1.
What are the key properties of 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 11689324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).