[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C13H18F3N5O — CID 119798587

IUPAC[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNCC1(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)10-19-18-9-7-20(5-6-21(9)10)11(22)12(8-17)3-1-2-4-12/h1-8,17H2
InChIKeyHTEAEISPIZEUEE-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.16
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 119798587) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID119798587
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNCC1(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)10-19-18-9-7-20(5-6-21(9)10)11(22)12(8-17)3-1-2-4-12/h1-8,17H2
InChIKeyHTEAEISPIZEUEE-UHFFFAOYSA-N
XLogP1.16
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone 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 [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 119798587) is [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is NCC1(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is HTEAEISPIZEUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c14-13(15,16)10-19-18-9-7-20(5-6-21(9)10)11(22)12(8-17)3-1-2-4-12/h1-8,17H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 317.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 119798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).