2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine

C18H11F3N4 — CID 15957306

IUPAC2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc4ccccc34)n[nH]2)nc1
InChIInChI=1S/C18H11F3N4/c19-18(20,21)12-8-9-15(22-10-12)17-23-16(24-25-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,23,24,25)
InChIKeyOOGGKEMWCOROTD-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.71
Rot. Bonds2

About 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine

2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine (PubChem CID 15957306) has the molecular formula C18H11F3N4 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine
PubChem CID15957306
Molecular FormulaC18H11F3N4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc4ccccc34)n[nH]2)nc1
InChIInChI=1S/C18H11F3N4/c19-18(20,21)12-8-9-15(22-10-12)17-23-16(24-25-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,23,24,25)
InChIKeyOOGGKEMWCOROTD-UHFFFAOYSA-N
XLogP4.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine (CID 15957306) is 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2nc(-c3cccc4ccccc34)n[nH]2)nc1.
What is the InChIKey of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is OOGGKEMWCOROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4/c19-18(20,21)12-8-9-15(22-10-12)17-23-16(24-25-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,23,24,25).
What are the key properties of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine?
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 340.31 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 15957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).