3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine

C9H14F3N5 — CID 64575886

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C9H14F3N5/c10-9(11,12)7(1-2-13)16-3-4-17-6-14-15-8(17)5-16/h6-7H,1-5,13H2
InChIKeyPPLDXKSHXHNJNU-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.37
Rot. Bonds3

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 64575886) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID64575886
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C9H14F3N5/c10-9(11,12)7(1-2-13)16-3-4-17-6-14-15-8(17)5-16/h6-7H,1-5,13H2
InChIKeyPPLDXKSHXHNJNU-UHFFFAOYSA-N
XLogP0.37
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine 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 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine (CID 64575886) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine is NCCC(N1CCn2cnnc2C1)C(F)(F)F.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is PPLDXKSHXHNJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c10-9(11,12)7(1-2-13)16-3-4-17-6-14-15-8(17)5-16/h6-7H,1-5,13H2.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64575886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).