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

C11H16F3N5O — CID 66055778

IUPAC5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-6-18(1-2-19(9)10)5-7-3-8(20)4-15-7/h7-8,15,20H,1-6H2
InChIKeyGRNASEBHQWACNG-UHFFFAOYSA-N
MW291.28 g/mol
LogP-0.16
Rot. Bonds2

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

5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol (PubChem CID 66055778) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol
PubChem CID66055778
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-6-18(1-2-19(9)10)5-7-3-8(20)4-15-7/h7-8,15,20H,1-6H2
InChIKeyGRNASEBHQWACNG-UHFFFAOYSA-N
XLogP-0.16
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol 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]pyrrolidin-3-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol (CID 66055778) is 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol is OC1CNC(CN2CCn3c(nnc3C(F)(F)F)C2)C1.
What is the InChIKey of 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol?
The InChIKey is GRNASEBHQWACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)10-17-16-9-6-18(1-2-19(9)10)5-7-3-8(20)4-15-7/h7-8,15,20H,1-6H2.
What are the key properties of 5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol?
5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-3-ol has a molecular weight of 291.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 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]pyrrolidin-3-ol is sourced from PubChem (CID 66055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).