7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C13H14F3N9 — CID 146046527

IUPAC7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCn3ncnc3C2)n(-c2nc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-24-9(5-8)17-6-18-24)25(21-7)12-20-11(13(14,15)16)22-23(12)2/h6,8H,3-5H2,1-2H3
InChIKeyISWSZXDSLWJDQU-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.04
Rot. Bonds2

About 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146046527) has the molecular formula C13H14F3N9 and a molecular weight of 353.31 g/mol. Its IUPAC name is 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146046527
Molecular FormulaC13H14F3N9
Molecular Weight353.31 g/mol
Exact Mass353.13
IUPAC Name7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCn3ncnc3C2)n(-c2nc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-24-9(5-8)17-6-18-24)25(21-7)12-20-11(13(14,15)16)22-23(12)2/h6,8H,3-5H2,1-2H3
InChIKeyISWSZXDSLWJDQU-UHFFFAOYSA-N
XLogP1.04
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-methyl-4-{[5-[2-(1H-tetrazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl}piperidine
CID 72877690
6-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146039306
7-[3-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146043200
6-[3-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146046595
2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole formate
CID 154565305
2-[2'-methyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazol-3-yl]acetamide
CID 154817800
7-(1-ethyl-3-pentyl-1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 146046343
7-(2,5-Diethyl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146046563

Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146046527) is 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc(C2CCn3ncnc3C2)n(-c2nc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ISWSZXDSLWJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-24-9(5-8)17-6-18-24)25(21-7)12-20-11(13(14,15)16)22-23(12)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 353.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146046527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).