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

C16H18F3N7 — CID 72705476

IUPAC2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-9-2-3-10-25)8-7-12-20-14-6-4-5-11(16(17,18)19)26(14)22-12/h4-6H,2-3,7-10H2,1H3
InChIKeyIOBJEJHWDNBSKU-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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72705476) 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]-5-(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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72705476
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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-9-2-3-10-25)8-7-12-20-14-6-4-5-11(16(17,18)19)26(14)22-12/h4-6H,2-3,7-10H2,1H3
InChIKeyIOBJEJHWDNBSKU-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 72705476) is 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(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]-5-(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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1.
What is the InChIKey of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IOBJEJHWDNBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-9-2-3-10-25)8-7-12-20-14-6-4-5-11(16(17,18)19)26(14)22-12/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72705476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).