6-[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 154565305

IUPAC6-[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(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)25(21-7)12-20-11(13(14,15)16)22-23(12)2/h6,8H,3-5H2,1-2H3
InChIKeyITSPQZTWAMPKLH-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.04
Rot. Bonds2

About 6-[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

6-[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 154565305) has the molecular formula C13H14F3N9 and a molecular weight of 353.31 g/mol. Its IUPAC name is 6-[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 Name6-[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 CID154565305
Molecular FormulaC13H14F3N9
Molecular Weight353.31 g/mol
Exact Mass353.13
IUPAC Name6-[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(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)25(21-7)12-20-11(13(14,15)16)22-23(12)2/h6,8H,3-5H2,1-2H3
InChIKeyITSPQZTWAMPKLH-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 6-[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
2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole
CID 146046527
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-[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
Formic acid;6-[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 154920049
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
6-[5-(3-Tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167870502

Frequently Asked Questions

What is the IUPAC name of 6-[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 6-[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 154565305) is 6-[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 6-[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 6-[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(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 6-[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 ITSPQZTWAMPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N9/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)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 6-[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?
6-[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 6-[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 154565305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).