2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C16H18F3N7 — CID 72705478

IUPAC2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-7-2-3-8-25)5-4-12-20-14-10-11(16(17,18)19)6-9-26(14)22-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyPOUOTVCJVXEPPV-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.26
Rot. Bonds4

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

2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72705478) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72705478
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Name2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-7-2-3-8-25)5-4-12-20-14-10-11(16(17,18)19)6-9-26(14)22-12/h6,9-10H,2-5,7-8H2,1H3
InChIKeyPOUOTVCJVXEPPV-UHFFFAOYSA-N
XLogP2.26
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine 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 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 72705478) is 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1.
What is the InChIKey of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is POUOTVCJVXEPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-7-2-3-8-25)5-4-12-20-14-10-11(16(17,18)19)6-9-26(14)22-12/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 365.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72705478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).