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

C12H17F3N4O — CID 64579451

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

2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol (PubChem CID 64579451) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol
• PubChem CID: 64579451
• Molecular Formula: C12H17F3N4O
• Molecular Weight: 290.29 g/mol
• Exact Mass: 290.14
• IUPAC Name: 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol
• SMILES: OC1CCCC1CN1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C12H17F3N4O/c13-12(14,15)11-17-16-10-7-18(4-5-19(10)11)6-8-2-1-3-9(8)20/h8-9,20H,1-7H2
• InChIKey: PQZZQCVRQRVBRM-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.29
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol?

The IUPAC name of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol (CID 64579451) is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol.

What is the SMILES notation for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol?

The canonical SMILES for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol is OC1CCCC1CN1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol?

The InChIKey is PQZZQCVRQRVBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-17-16-10-7-18(4-5-19(10)11)6-8-2-1-3-9(8)20/h8-9,20H,1-7H2.

What are the key properties of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol?

2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 64579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).