2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine

C10H15F3N4O — CID 81250634

IUPAC2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
SMILESCOCC(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c1-18-5-7(14)9-16-15-8-3-2-6(4-17(8)9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyPSJKERXBKZDKQZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.05
Rot. Bonds3

About 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine

2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine (PubChem CID 81250634) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
PubChem CID81250634
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
SMILESCOCC(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c1-18-5-7(14)9-16-15-8-3-2-6(4-17(8)9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyPSJKERXBKZDKQZ-UHFFFAOYSA-N
XLogP1.05
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine (CID 81250634) is 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine is COCC(N)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The InChIKey is PSJKERXBKZDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-18-5-7(14)9-16-15-8-3-2-6(4-17(8)9)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine has a molecular weight of 264.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 81250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).