N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide

C17H18F3N5O2 — CID 134800924

IUPACN-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nnc2n1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C17H18F3N5O2/c1-10(21-11(2)26)15-23-22-14-9-24(7-8-25(14)15)16(27)12-3-5-13(6-4-12)17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,26)
InChIKeyWZYIQGZHCURCJC-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.15
Rot. Bonds3

About N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide

N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide (PubChem CID 134800924) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide
PubChem CID134800924
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC NameN-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nnc2n1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C17H18F3N5O2/c1-10(21-11(2)26)15-23-22-14-9-24(7-8-25(14)15)16(27)12-3-5-13(6-4-12)17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,26)
InChIKeyWZYIQGZHCURCJC-UHFFFAOYSA-N
XLogP2.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide 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-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide?
The IUPAC name of N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide (CID 134800924) is N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide is CC(=O)NC(C)c1nnc2n1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide?
The InChIKey is WZYIQGZHCURCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-10(21-11(2)26)15-23-22-14-9-24(7-8-25(14)15)16(27)12-3-5-13(6-4-12)17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,26).
What are the key properties of N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide?
N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide has a molecular weight of 381.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]acetamide is sourced from PubChem (CID 134800924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).