6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile

C14H8ClF3N6 — CID 167975799

IUPAC6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc1
InChIInChI=1S/C14H8ClF3N6/c15-10-3-9(14(16,17)18)7-24-12(22-23-13(10)24)6-21-11-2-1-8(4-19)5-20-11/h1-3,5,7H,6H2,(H,20,21)
InChIKeyPILCWCWSOWEYRI-UHFFFAOYSA-N
MW352.71 g/mol
LogP3.28
Rot. Bonds3

About 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 167975799) has the molecular formula C14H8ClF3N6 and a molecular weight of 352.71 g/mol. Its IUPAC name is 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID167975799
Molecular FormulaC14H8ClF3N6
Molecular Weight352.71 g/mol
Exact Mass352.05
IUPAC Name6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc1
InChIInChI=1S/C14H8ClF3N6/c15-10-3-9(14(16,17)18)7-24-12(22-23-13(10)24)6-21-11-2-1-8(4-19)5-20-11/h1-3,5,7H,6H2,(H,20,21)
InChIKeyPILCWCWSOWEYRI-UHFFFAOYSA-N
XLogP3.28
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile (CID 167975799) is 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc1.
What is the InChIKey of 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is PILCWCWSOWEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N6/c15-10-3-9(14(16,17)18)7-24-12(22-23-13(10)24)6-21-11-2-1-8(4-19)5-20-11/h1-3,5,7H,6H2,(H,20,21).
What are the key properties of 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 352.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 167975799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).