5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

C20H19F3N8 — CID 20604698

IUPAC5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCn1nc(C(F)(F)F)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C20H19F3N8/c1-2-3-10-31-17(25-19(28-31)20(21,22)23)11-13-8-9-16(24-12-13)14-6-4-5-7-15(14)18-26-29-30-27-18/h4-9,12H,2-3,10-11H2,1H3,(H,26,27,29,30)
InChIKeyIXLLJEJIKBDUET-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.93
Rot. Bonds7

About 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 20604698) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID20604698
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCn1nc(C(F)(F)F)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C20H19F3N8/c1-2-3-10-31-17(25-19(28-31)20(21,22)23)11-13-8-9-16(24-12-13)14-6-4-5-7-15(14)18-26-29-30-27-18/h4-9,12H,2-3,10-11H2,1H3,(H,26,27,29,30)
InChIKeyIXLLJEJIKBDUET-UHFFFAOYSA-N
XLogP3.93
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701424
5-[(5-benzyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701272
5-[[2-butyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 15291279
5-[2-[4-[[5-(1,1-difluoropropyl)-2-hexyl-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19750068
5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19383190
5-[[5-butyl-3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976231
5-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976461
5-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976756
5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976156
5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976631
2-[4-[[5-(1,1-difluorobutyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 18700964
5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976374

Frequently Asked Questions

What is the IUPAC name of 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 20604698) is 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCCn1nc(C(F)(F)F)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is IXLLJEJIKBDUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8/c1-2-3-10-31-17(25-19(28-31)20(21,22)23)11-13-8-9-16(24-12-13)14-6-4-5-7-15(14)18-26-29-30-27-18/h4-9,12H,2-3,10-11H2,1H3,(H,26,27,29,30).
What are the key properties of 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 428.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 20604698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).