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

C10H16F3N5 — CID 64575120

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C10H16F3N5/c1-2-7(14)9(10(11,12)13)17-3-4-18-6-15-16-8(18)5-17/h6-7,9H,2-5,14H2,1H3
InChIKeyPZBVEOGELFYSGL-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.76
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 64575120) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID64575120
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C10H16F3N5/c1-2-7(14)9(10(11,12)13)17-3-4-18-6-15-16-8(18)5-17/h6-7,9H,2-5,14H2,1H3
InChIKeyPZBVEOGELFYSGL-UHFFFAOYSA-N
XLogP0.76
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-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 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine (CID 64575120) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CCn2cnnc2C1)C(F)(F)F.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is PZBVEOGELFYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-2-7(14)9(10(11,12)13)17-3-4-18-6-15-16-8(18)5-17/h6-7,9H,2-5,14H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 263.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 64575120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).