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

C11H14F3N5O2 — CID 64575987

IUPAC(4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-5-18(1-2-19(8)10)9(21)7-3-6(20)4-15-7/h6-7,15,20H,1-5H2
InChIKeyOVRAOZRKCDXLNC-UHFFFAOYSA-N
MW305.26 g/mol
LogP-0.64
Rot. Bonds1

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

(4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64575987) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64575987
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Name(4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-5-18(1-2-19(8)10)9(21)7-3-6(20)4-15-7/h6-7,15,20H,1-5H2
InChIKeyOVRAOZRKCDXLNC-UHFFFAOYSA-N
XLogP-0.64
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-hydroxypyrrolidin-2-yl)-[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 (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64575987) is (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(C1CC(O)CN1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is OVRAOZRKCDXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c12-11(13,14)10-17-16-8-5-18(1-2-19(8)10)9(21)7-3-6(20)4-15-7/h6-7,15,20H,1-5H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 305.26 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64575987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).