N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H12F3N5O2 — CID 154781924

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-16-11(19(2)18-7)17-9(21)8-4-3-5-20(10(8)22)6-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17,18,21)
InChIKeyNNGBSYDXURHBKX-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.10
Rot. Bonds3

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 154781924) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID154781924
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-16-11(19(2)18-7)17-9(21)8-4-3-5-20(10(8)22)6-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17,18,21)
InChIKeyNNGBSYDXURHBKX-UHFFFAOYSA-N
XLogP1.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide 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 N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 154781924) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cccn(CC(F)(F)F)c2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is NNGBSYDXURHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-7-16-11(19(2)18-7)17-9(21)8-4-3-5-20(10(8)22)6-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17,18,21).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 315.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154781924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).