N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C11H10F3N5O2 — CID 154786179

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10F3N5O2/c1-21-10-17-9(18-19-10)16-8(20)5-6-3-2-4-7(15-6)11(12,13)14/h2-4H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyJRAPYHXTIRMNNF-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.41
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 154786179) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID154786179
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10F3N5O2/c1-21-10-17-9(18-19-10)16-8(20)5-6-3-2-4-7(15-6)11(12,13)14/h2-4H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyJRAPYHXTIRMNNF-UHFFFAOYSA-N
XLogP1.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138053973
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046
3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83100975

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 154786179) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is COc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is JRAPYHXTIRMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-21-10-17-9(18-19-10)16-8(20)5-6-3-2-4-7(15-6)11(12,13)14/h2-4H,5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 301.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 154786179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).