2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C14H16F3N5O2 — CID 131893259

IUPAC2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(=O)n1CCc1nc(CC(N)=O)nn1CC(F)(F)F
InChIInChI=1S/C14H16F3N5O2/c1-9-3-2-4-13(24)21(9)6-5-12-19-11(7-10(18)23)20-22(12)8-14(15,16)17/h2-4H,5-8H2,1H3,(H2,18,23)
InChIKeyQLWSHLOESGVZHH-UHFFFAOYSA-N
MW343.31 g/mol
LogP0.58
Rot. Bonds6

About 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131893259) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131893259
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(=O)n1CCc1nc(CC(N)=O)nn1CC(F)(F)F
InChIInChI=1S/C14H16F3N5O2/c1-9-3-2-4-13(24)21(9)6-5-12-19-11(7-10(18)23)20-22(12)8-14(15,16)17/h2-4H,5-8H2,1H3,(H2,18,23)
InChIKeyQLWSHLOESGVZHH-UHFFFAOYSA-N
XLogP0.58
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 131893259) is 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is Cc1cccc(=O)n1CCc1nc(CC(N)=O)nn1CC(F)(F)F.
What is the InChIKey of 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QLWSHLOESGVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-9-3-2-4-13(24)21(9)6-5-12-19-11(7-10(18)23)20-22(12)8-14(15,16)17/h2-4H,5-8H2,1H3,(H2,18,23).
What are the key properties of 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131893259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).