N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide

C10H7F3N4O — CID 20788039

IUPACN-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1cncn1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)7-2-1-3-8(4-7)16-9(18)17-6-14-5-15-17/h1-6H,(H,16,18)
InChIKeyRGQIILYTKISKGG-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.38
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide

N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide (PubChem CID 20788039) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide
PubChem CID20788039
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1cncn1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)7-2-1-3-8(4-7)16-9(18)17-6-14-5-15-17/h1-6H,(H,16,18)
InChIKeyRGQIILYTKISKGG-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide (CID 20788039) is N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1cncn1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide?
The InChIKey is RGQIILYTKISKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)7-2-1-3-8(4-7)16-9(18)17-6-14-5-15-17/h1-6H,(H,16,18).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide?
N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide has a molecular weight of 256.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 20788039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).