2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile

C11H15F3N6 — CID 64577862

IUPAC2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile
SMILESCC(N)(C#N)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N6/c1-10(16,7-15)2-3-19-4-5-20-8(6-19)17-18-9(20)11(12,13)14/h2-6,16H2,1H3
InChIKeyYAQKRWGHRNDJIO-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile

2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile (PubChem CID 64577862) has the molecular formula C11H15F3N6 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile
PubChem CID64577862
Molecular FormulaC11H15F3N6
Molecular Weight288.28 g/mol
Exact Mass288.13
IUPAC Name2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile
SMILESCC(N)(C#N)CCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N6/c1-10(16,7-15)2-3-19-4-5-20-8(6-19)17-18-9(20)11(12,13)14/h2-6,16H2,1H3
InChIKeyYAQKRWGHRNDJIO-UHFFFAOYSA-N
XLogP0.74
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile 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 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile (CID 64577862) is 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile is CC(N)(C#N)CCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile?
The InChIKey is YAQKRWGHRNDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6/c1-10(16,7-15)2-3-19-4-5-20-8(6-19)17-18-9(20)11(12,13)14/h2-6,16H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile?
2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile has a molecular weight of 288.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile is sourced from PubChem (CID 64577862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).