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

C13H19F3N4O — CID 79866043

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

2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol (PubChem CID 79866043) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol
• PubChem CID: 79866043
• Molecular Formula: C13H19F3N4O
• Molecular Weight: 304.32 g/mol
• Exact Mass: 304.15
• IUPAC Name: 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol
• SMILES: CC1(C)CCC(N2CCn3c(nnc3C(F)(F)F)C2)C1O
• InChI: InChI=1S/C13H19F3N4O/c1-12(2)4-3-8(10(12)21)19-5-6-20-9(7-19)17-18-11(20)13(14,15)16/h8,10,21H,3-7H2,1-2H3
• InChIKey: XWNNZTDIWZKUGW-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.32
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol (CID 79866043) is 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol.

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

The canonical SMILES for 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol is CC1(C)CCC(N2CCn3c(nnc3C(F)(F)F)C2)C1O.

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

The InChIKey is XWNNZTDIWZKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-12(2)4-3-8(10(12)21)19-5-6-20-9(7-19)17-18-11(20)13(14,15)16/h8,10,21H,3-7H2,1-2H3.

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

2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol has a molecular weight of 304.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol is sourced from PubChem (CID 79866043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).