6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C15H10F3N5O — CID 1475774

IUPAC6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-2-1-3-12(6-11)22-14(24)10-4-5-13(20-7-10)23-9-19-8-21-23/h1-9H,(H,22,24)
InChIKeyGLAZOYQCJSGKPX-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

About 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 1475774) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID1475774
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-2-1-3-12(6-11)22-14(24)10-4-5-13(20-7-10)23-9-19-8-21-23/h1-9H,(H,22,24)
InChIKeyGLAZOYQCJSGKPX-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 1475774) is 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)nc1.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GLAZOYQCJSGKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)11-2-1-3-12(6-11)22-14(24)10-4-5-13(20-7-10)23-9-19-8-21-23/h1-9H,(H,22,24).
What are the key properties of 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1475774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).