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

C13H18F3N5O2 — CID 71984058

IUPAC(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCCN1CCOC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-19-5-6-23-9(7-19)11(22)20-3-4-21-10(8-20)17-18-12(21)13(14,15)16/h9H,2-8H2,1H3
InChIKeyGGPZGWBXOJUMAK-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.36
Rot. Bonds2

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

(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 71984058) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID71984058
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCCN1CCOC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C13H18F3N5O2/c1-2-19-5-6-23-9(7-19)11(22)20-3-4-21-10(8-20)17-18-12(21)13(14,15)16/h9H,2-8H2,1H3
InChIKeyGGPZGWBXOJUMAK-UHFFFAOYSA-N
XLogP0.36
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylmorpholin-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-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 71984058) is (4-ethylmorpholin-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-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CCN1CCOC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is GGPZGWBXOJUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-2-19-5-6-23-9(7-19)11(22)20-3-4-21-10(8-20)17-18-12(21)13(14,15)16/h9H,2-8H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 333.31 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 71984058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).