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

C11H18F3N5O — CID 64575693

IUPAC2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCCOC(CN)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-2-20-8(5-15)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyGCQDFHHZSDXMTR-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.48
Rot. Bonds5

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

2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (PubChem CID 64575693) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
PubChem CID64575693
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCCOC(CN)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-2-20-8(5-15)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyGCQDFHHZSDXMTR-UHFFFAOYSA-N
XLogP0.48
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The IUPAC name of 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (CID 64575693) is 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The canonical SMILES for 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is CCOC(CN)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The InChIKey is GCQDFHHZSDXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-2-20-8(5-15)6-18-3-4-19-9(7-18)16-17-10(19)11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is sourced from PubChem (CID 64575693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).