5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide

C18H15F3N4O — CID 13345765

IUPAC5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)n(-c2cccc(CCC(F)(F)F)c2)n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)10-9-12-5-4-8-14(11-12)25-17(13-6-2-1-3-7-13)23-16(24-25)15(22)26/h1-8,11H,9-10H2,(H2,22,26)
InChIKeyGSXTVVJXYCZIIV-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.53
Rot. Bonds5

About 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide

5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 13345765) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID13345765
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)n(-c2cccc(CCC(F)(F)F)c2)n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)10-9-12-5-4-8-14(11-12)25-17(13-6-2-1-3-7-13)23-16(24-25)15(22)26/h1-8,11H,9-10H2,(H2,22,26)
InChIKeyGSXTVVJXYCZIIV-UHFFFAOYSA-N
XLogP3.53
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
CID 151923976
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
phenacyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 16543576
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 2479006
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 13132138
1-(3-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
CID 13292324
(4-amino-3-cyano-2-oxopent-3-enyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 4831219
1-benzyl-5-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 57435355
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
3-azabicyclo[3.1.0]hexan-3-yl-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CID 166246807
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide (CID 13345765) is 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1nc(-c2ccccc2)n(-c2cccc(CCC(F)(F)F)c2)n1.
What is the InChIKey of 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GSXTVVJXYCZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)10-9-12-5-4-8-14(11-12)25-17(13-6-2-1-3-7-13)23-16(24-25)15(22)26/h1-8,11H,9-10H2,(H2,22,26).
What are the key properties of 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide?
5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 13345765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).