2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C17H17F3N6O2 — CID 146103962

IUPAC2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCn1cncc1-c1cn(CC(=O)NCc2cccc(OCC(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N6O2/c1-25-11-21-7-15(25)14-8-26(24-23-14)9-16(27)22-6-12-3-2-4-13(5-12)28-10-17(18,19)20/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,27)
InChIKeyDVXJUYDKEUWFKM-UHFFFAOYSA-N
MW394.36 g/mol
LogP1.94
Rot. Bonds7

About 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 146103962) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID146103962
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC Name2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCn1cncc1-c1cn(CC(=O)NCc2cccc(OCC(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N6O2/c1-25-11-21-7-15(25)14-8-26(24-23-14)9-16(27)22-6-12-3-2-4-13(5-12)28-10-17(18,19)20/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,27)
InChIKeyDVXJUYDKEUWFKM-UHFFFAOYSA-N
XLogP1.94
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(5-oxo-4-phenyltetrazol-1-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 112842896
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907704
2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55712262
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
N-benzyl-2-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methylimidazol-4-yl)benzimidazol-5-yl]triazol-1-yl]acetamide
CID 177185061

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 146103962) is 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is Cn1cncc1-c1cn(CC(=O)NCc2cccc(OCC(F)(F)F)c2)nn1.
What is the InChIKey of 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is DVXJUYDKEUWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c1-25-11-21-7-15(25)14-8-26(24-23-14)9-16(27)22-6-12-3-2-4-13(5-12)28-10-17(18,19)20/h2-5,7-8,11H,6,9-10H2,1H3,(H,22,27).
What are the key properties of 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 394.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 146103962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).