3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H12F3N5 — CID 113461557

IUPAC3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)CC(F)(F)F)nccn12
InChIInChI=1S/C10H12F3N5/c1-6(5-10(11,12)13)15-8-9-17-16-7(2)18(9)4-3-14-8/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyBGLXIPRGFYXYOP-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113461557) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113461557
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)CC(F)(F)F)nccn12
InChIInChI=1S/C10H12F3N5/c1-6(5-10(11,12)13)15-8-9-17-16-7(2)18(9)4-3-14-8/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyBGLXIPRGFYXYOP-UHFFFAOYSA-N
XLogP2.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113461557) is 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)CC(F)(F)F)nccn12.
What is the InChIKey of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BGLXIPRGFYXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-6(5-10(11,12)13)15-8-9-17-16-7(2)18(9)4-3-14-8/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 259.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113461557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).