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

C11H17F3N4O2 — CID 64578432

IUPAC1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCCOCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4O2/c1-2-20-7-8(19)5-17-3-4-18-9(6-17)15-16-10(18)11(12,13)14/h8,19H,2-7H2,1H3
InChIKeyXQFGCYVZLAKAJJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.51
Rot. Bonds5

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

1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (PubChem CID 64578432) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
PubChem CID64578432
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESCCOCC(O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H17F3N4O2/c1-2-20-7-8(19)5-17-3-4-18-9(6-17)15-16-10(18)11(12,13)14/h8,19H,2-7H2,1H3
InChIKeyXQFGCYVZLAKAJJ-UHFFFAOYSA-N
XLogP0.51
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (CID 64578432) is 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is CCOCC(O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is XQFGCYVZLAKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-2-20-7-8(19)5-17-3-4-18-9(6-17)15-16-10(18)11(12,13)14/h8,19H,2-7H2,1H3.
What are the key properties of 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol has a molecular weight of 294.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is sourced from PubChem (CID 64578432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).