N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide

C10H14F3N5O — CID 69364521

IUPACN,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide
SMILESCN(C)C(=O)CC1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H14F3N5O/c1-17(2)7(19)5-6-8-15-9(10(11,12)13)16-18(8)4-3-14-6/h6,14H,3-5H2,1-2H3
InChIKeyRHIXSXUMGCEEMO-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.42
Rot. Bonds2

About N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide

N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide (PubChem CID 69364521) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide
PubChem CID69364521
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide
SMILESCN(C)C(=O)CC1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H14F3N5O/c1-17(2)7(19)5-6-8-15-9(10(11,12)13)16-18(8)4-3-14-6/h6,14H,3-5H2,1-2H3
InChIKeyRHIXSXUMGCEEMO-UHFFFAOYSA-N
XLogP0.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide (CID 69364521) is N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide is CN(C)C(=O)CC1NCCn2nc(C(F)(F)F)nc21.
What is the InChIKey of N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide?
The InChIKey is RHIXSXUMGCEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-17(2)7(19)5-6-8-15-9(10(11,12)13)16-18(8)4-3-14-6/h6,14H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide?
N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide is sourced from PubChem (CID 69364521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).