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

C15H19F3N6 — CID 146043200

IUPAC7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Cn1nc(C2CCCC2)nc1C1CCn2ncnc2C1
InChIInChI=1S/C15H19F3N6/c16-15(17,18)8-24-14(21-13(22-24)10-3-1-2-4-10)11-5-6-23-12(7-11)19-9-20-23/h9-11H,1-8H2
InChIKeyOEKCHUGGAQCEKK-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.82
Rot. Bonds3

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

7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146043200) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146043200
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Cn1nc(C2CCCC2)nc1C1CCn2ncnc2C1
InChIInChI=1S/C15H19F3N6/c16-15(17,18)8-24-14(21-13(22-24)10-3-1-2-4-10)11-5-6-23-12(7-11)19-9-20-23/h9-11H,1-8H2
InChIKeyOEKCHUGGAQCEKK-UHFFFAOYSA-N
XLogP2.82
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-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

(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
4-(2,3-Dimethylbutyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;6-propan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136530
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
(3S)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622703
1-methyl-3-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 131941999
1-[[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 137990237
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
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',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
7-(2-Methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 170928436
1-(cyclopentylmethyl)-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72842730

Frequently Asked Questions

What is the IUPAC name of 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-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-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146043200) is 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-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-cyclopentyl-2-(2,2,2-trifluoroethyl)-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-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)Cn1nc(C2CCCC2)nc1C1CCn2ncnc2C1.
What is the InChIKey of 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OEKCHUGGAQCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c16-15(17,18)8-24-14(21-13(22-24)10-3-1-2-4-10)11-5-6-23-12(7-11)19-9-20-23/h9-11H,1-8H2.
What are the key properties of 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 340.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-cyclopentyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).