N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C15H14F3N7O — CID 155958354

IUPACN-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCc1nc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)n(C)n1
InChIInChI=1S/C15H14F3N7O/c1-3-12-19-14(24(2)22-12)20-13(26)11-8-25(23-21-11)10-6-4-5-9(7-10)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,22,26)
InChIKeyBHFOMCFZYVBRBQ-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.23
Rot. Bonds4

About N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 155958354) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID155958354
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC NameN-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCc1nc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)n(C)n1
InChIInChI=1S/C15H14F3N7O/c1-3-12-19-14(24(2)22-12)20-13(26)11-8-25(23-21-11)10-6-4-5-9(7-10)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,22,26)
InChIKeyBHFOMCFZYVBRBQ-UHFFFAOYSA-N
XLogP2.23
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 155958354) is N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is CCc1nc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)n(C)n1.
What is the InChIKey of N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is BHFOMCFZYVBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c1-3-12-19-14(24(2)22-12)20-13(26)11-8-25(23-21-11)10-6-4-5-9(7-10)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,22,26).
What are the key properties of N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 155958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).