N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C10H7F3N4O — CID 822259

IUPACN-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-3-1-2-4-7(6)16-9(18)8-14-5-15-17-8/h1-5H,(H,16,18)(H,14,15,17)
InChIKeyFBMPYFQVPSEWKQ-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.08
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 822259) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID822259
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC NameN-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-3-1-2-4-7(6)16-9(18)8-14-5-15-17-8/h1-5H,(H,16,18)(H,14,15,17)
InChIKeyFBMPYFQVPSEWKQ-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 822259) is N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ncn[nH]1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FBMPYFQVPSEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)6-3-1-2-4-7(6)16-9(18)8-14-5-15-17-8/h1-5H,(H,16,18)(H,14,15,17).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 256.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 822259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).