N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

C15H15F3N4O — CID 166302719

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(C(F)(F)F)n1)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)14-19-9-22(21-14)8-13(23)20-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9H,1-2,4,6,8H2,(H,20,23)
InChIKeyQSQJNGRTZFIRTJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.81
Rot. Bonds3

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 166302719) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID166302719
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(C(F)(F)F)n1)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)14-19-9-22(21-14)8-13(23)20-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9H,1-2,4,6,8H2,(H,20,23)
InChIKeyQSQJNGRTZFIRTJ-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 167977127
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-(cyclopropylmethylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 60841919
N-(3,4-dihydro-1H-isochromen-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 166283549
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 3242996
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515848
tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
CID 60596283

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 166302719) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is O=C(Cn1cnc(C(F)(F)F)n1)Nc1cccc2c1CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is QSQJNGRTZFIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)14-19-9-22(21-14)8-13(23)20-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9H,1-2,4,6,8H2,(H,20,23).
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 324.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 166302719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).