[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

C13H14F3N5O — CID 17122203

IUPAC[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)cnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C13H14F3N5O/c1-8-9(10(22)20-5-3-2-4-6-20)7-17-12-18-11(13(14,15)16)19-21(8)12/h7H,2-6H2,1H3
InChIKeyDFXXUGBAQUBBIT-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.08
Rot. Bonds1

About [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 17122203) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID17122203
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)cnc2nc(C(F)(F)F)nn12
InChIInChI=1S/C13H14F3N5O/c1-8-9(10(22)20-5-3-2-4-6-20)7-17-12-18-11(13(14,15)16)19-21(8)12/h7H,2-6H2,1H3
InChIKeyDFXXUGBAQUBBIT-UHFFFAOYSA-N
XLogP2.08
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 17122203) is [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)cnc2nc(C(F)(F)F)nn12.
What is the InChIKey of [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is DFXXUGBAQUBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-8-9(10(22)20-5-3-2-4-6-20)7-17-12-18-11(13(14,15)16)19-21(8)12/h7H,2-6H2,1H3.
What are the key properties of [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 313.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17122203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).