3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C18H18F3N5 — CID 133481667

IUPAC3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(N2CCCC(c3nnc4ccc(C(F)(F)F)cn34)C2)n1
InChIInChI=1S/C18H18F3N5/c1-12-4-2-6-15(22-12)25-9-3-5-13(10-25)17-24-23-16-8-7-14(11-26(16)17)18(19,20)21/h2,4,6-8,11,13H,3,5,9-10H2,1H3
InChIKeyVODSWKMSHSPZLN-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.84
Rot. Bonds2

About 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 133481667) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID133481667
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC Name3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc(N2CCCC(c3nnc4ccc(C(F)(F)F)cn34)C2)n1
InChIInChI=1S/C18H18F3N5/c1-12-4-2-6-15(22-12)25-9-3-5-13(10-25)17-24-23-16-8-7-14(11-26(16)17)18(19,20)21/h2,4,6-8,11,13H,3,5,9-10H2,1H3
InChIKeyVODSWKMSHSPZLN-UHFFFAOYSA-N
XLogP3.84
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 133481667) is 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccc(N2CCCC(c3nnc4ccc(C(F)(F)F)cn34)C2)n1.
What is the InChIKey of 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VODSWKMSHSPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c1-12-4-2-6-15(22-12)25-9-3-5-13(10-25)17-24-23-16-8-7-14(11-26(16)17)18(19,20)21/h2,4,6-8,11,13H,3,5,9-10H2,1H3.
What are the key properties of 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 361.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 133481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).