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

C12H16F3N5 — CID 64577028

IUPACcyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(16)8-3-1-2-4-8/h8,16H,1-7H2/b16-10+
InChIKeyHZSWKXIUEVPGGK-MHWRWJLKSA-N
MW287.29 g/mol
LogP2.28
Rot. Bonds1

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

cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine (PubChem CID 64577028) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine.

Molecular Properties

Compound Namecyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
PubChem CID64577028
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Namecyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(16)8-3-1-2-4-8/h8,16H,1-7H2/b16-10+
InChIKeyHZSWKXIUEVPGGK-MHWRWJLKSA-N
XLogP2.28
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The IUPAC name of cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine (CID 64577028) is cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine.
What is the SMILES notation for cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The canonical SMILES for cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine is [H]/N=C(\C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The InChIKey is HZSWKXIUEVPGGK-MHWRWJLKSA-N. The full InChI is InChI=1S/C12H16F3N5/c13-12(14,15)11-18-17-9-7-19(5-6-20(9)11)10(16)8-3-1-2-4-8/h8,16H,1-7H2/b16-10+.
What are the key properties of cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine has a molecular weight of 287.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine is sourced from PubChem (CID 64577028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).