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

C10H15F3N4O — CID 81251122

IUPAC2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
SMILESNCCOCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h7H,1-6,14H2
InChIKeyGMBVBEHABPCTPS-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.88
Rot. Bonds4

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

2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine (PubChem CID 81251122) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
PubChem CID81251122
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
SMILESNCCOCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h7H,1-6,14H2
InChIKeyGMBVBEHABPCTPS-UHFFFAOYSA-N
XLogP0.88
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The IUPAC name of 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine (CID 81251122) is 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine is NCCOCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The InChIKey is GMBVBEHABPCTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h7H,1-6,14H2.
What are the key properties of 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine has a molecular weight of 264.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine is sourced from PubChem (CID 81251122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).