2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine

C13H6F6N6 — CID 153425457

IUPAC2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)cn1
InChIInChI=1S/C13H6F6N6/c14-12(15,16)10-20-4-6(5-21-10)7-2-1-3-8(22-7)9-23-11(25-24-9)13(17,18)19/h1-5H,(H,23,24,25)
InChIKeyPDBJJXVLPLRWNH-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.36
Rot. Bonds2

About 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine

2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine (PubChem CID 153425457) has the molecular formula C13H6F6N6 and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
PubChem CID153425457
Molecular FormulaC13H6F6N6
Molecular Weight360.22 g/mol
Exact Mass360.06
IUPAC Name2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)cn1
InChIInChI=1S/C13H6F6N6/c14-12(15,16)10-20-4-6(5-21-10)7-2-1-3-8(22-7)9-23-11(25-24-9)13(17,18)19/h1-5H,(H,23,24,25)
InChIKeyPDBJJXVLPLRWNH-UHFFFAOYSA-N
XLogP3.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine (CID 153425457) is 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine is FC(F)(F)c1ncc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)cn1.
What is the InChIKey of 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine?
The InChIKey is PDBJJXVLPLRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N6/c14-12(15,16)10-20-4-6(5-21-10)7-2-1-3-8(22-7)9-23-11(25-24-9)13(17,18)19/h1-5H,(H,23,24,25).
What are the key properties of 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine?
2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine has a molecular weight of 360.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 153425457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).