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

C12H18F3N5O — CID 64580419

IUPAC[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCn3c(nnc3C(F)(F)F)C2)O1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9-2-1-8(5-16)21-9/h8-9H,1-7,16H2
InChIKeyBSZZOSWGIXEREO-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.62
Rot. Bonds3

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

[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine (PubChem CID 64580419) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine
PubChem CID64580419
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCn3c(nnc3C(F)(F)F)C2)O1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9-2-1-8(5-16)21-9/h8-9H,1-7,16H2
InChIKeyBSZZOSWGIXEREO-UHFFFAOYSA-N
XLogP0.62
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine 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 [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine (CID 64580419) is [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine is NCC1CCC(CN2CCn3c(nnc3C(F)(F)F)C2)O1.
What is the InChIKey of [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine?
The InChIKey is BSZZOSWGIXEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9-2-1-8(5-16)21-9/h8-9H,1-7,16H2.
What are the key properties of [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine?
[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine has a molecular weight of 305.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 64580419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).