N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

C11H16F3N5O — CID 110455745

IUPACN-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1Cc2nc(NC(=O)C(F)(F)F)nn2CC1N(C)C
InChIInChI=1S/C11H16F3N5O/c1-6-4-8-15-10(16-9(20)11(12,13)14)17-19(8)5-7(6)18(2)3/h6-7H,4-5H2,1-3H3,(H,16,17,20)
InChIKeyKAPSXWPPYNCPNN-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.90
Rot. Bonds2

About N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 110455745) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID110455745
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1Cc2nc(NC(=O)C(F)(F)F)nn2CC1N(C)C
InChIInChI=1S/C11H16F3N5O/c1-6-4-8-15-10(16-9(20)11(12,13)14)17-19(8)5-7(6)18(2)3/h6-7H,4-5H2,1-3H3,(H,16,17,20)
InChIKeyKAPSXWPPYNCPNN-UHFFFAOYSA-N
XLogP0.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide 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-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 110455745) is N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is CC1Cc2nc(NC(=O)C(F)(F)F)nn2CC1N(C)C.
What is the InChIKey of N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is KAPSXWPPYNCPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-6-4-8-15-10(16-9(20)11(12,13)14)17-19(8)5-7(6)18(2)3/h6-7H,4-5H2,1-3H3,(H,16,17,20).
What are the key properties of N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 291.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 110455745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).