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

C16H12F3N5O — CID 27262208

IUPAC5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)10-5-4-6-11(9-10)21-15(25)13-14(20)24(23-22-13)12-7-2-1-3-8-12/h1-9H,20H2,(H,21,25)
InChIKeyWFBASYSMPOAADK-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.12
Rot. Bonds3

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

5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 27262208) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID27262208
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)10-5-4-6-11(9-10)21-15(25)13-14(20)24(23-22-13)12-7-2-1-3-8-12/h1-9H,20H2,(H,21,25)
InChIKeyWFBASYSMPOAADK-UHFFFAOYSA-N
XLogP3.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 2144863
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16654274
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 7348563
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 27262208) is 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is WFBASYSMPOAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)10-5-4-6-11(9-10)21-15(25)13-14(20)24(23-22-13)12-7-2-1-3-8-12/h1-9H,20H2,(H,21,25).
What are the key properties of 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 27262208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).