2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine

C19H13F3N6 — CID 144771039

IUPAC2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccccc4)c3)n[nH]2)n1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)16-8-4-7-14(25-16)17-26-18(28-27-17)24-13-9-10-23-15(11-13)12-5-2-1-3-6-12/h1-11H,(H2,23,24,26,27,28)
InChIKeyJRJYVCJOLMBARM-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.69
Rot. Bonds4

About 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine

2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine (PubChem CID 144771039) has the molecular formula C19H13F3N6 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine
PubChem CID144771039
Molecular FormulaC19H13F3N6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC Name2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccccc4)c3)n[nH]2)n1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)16-8-4-7-14(25-16)17-26-18(28-27-17)24-13-9-10-23-15(11-13)12-5-2-1-3-6-12/h1-11H,(H2,23,24,26,27,28)
InChIKeyJRJYVCJOLMBARM-UHFFFAOYSA-N
XLogP4.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine?
The IUPAC name of 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine (CID 144771039) is 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine.
What is the SMILES notation for 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine?
The canonical SMILES for 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine is FC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccccc4)c3)n[nH]2)n1.
What is the InChIKey of 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine?
The InChIKey is JRJYVCJOLMBARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6/c20-19(21,22)16-8-4-7-14(25-16)17-26-18(28-27-17)24-13-9-10-23-15(11-13)12-5-2-1-3-6-12/h1-11H,(H2,23,24,26,27,28).
What are the key properties of 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine?
2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine has a molecular weight of 382.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 144771039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).