2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide

C15H10F3N5OS — CID 47071207

IUPAC2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)25-12-3-1-11(2-4-12)22-14(24)10-5-6-20-13(7-10)23-9-19-8-21-23/h1-9H,(H,22,24)
InChIKeyQANKHZKKOXYVLB-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.53
Rot. Bonds4

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

2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (PubChem CID 47071207) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
PubChem CID47071207
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC Name2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)25-12-3-1-11(2-4-12)22-14(24)10-5-6-20-13(7-10)23-9-19-8-21-23/h1-9H,(H,22,24)
InChIKeyQANKHZKKOXYVLB-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525884
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526034
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525924
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 71854091
1-[4-(trifluoromethylsulfanyl)phenyl]-1,2,4-triazole
CID 175197135
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112811666
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (CID 47071207) is 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The InChIKey is QANKHZKKOXYVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-15(17,18)25-12-3-1-11(2-4-12)22-14(24)10-5-6-20-13(7-10)23-9-19-8-21-23/h1-9H,(H,22,24).
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47071207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).